Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

NASA Astrophysics Data System (ADS)

Shiozaki, Toru; Győrffy, Werner; Celani, Paolo; Werner, Hans-Joachim

2011-08-01

The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky [J. Chem. Phys. 134, 214113 (2011)], is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order wavefunction is expanded in terms of the union of internally contracted basis functions generated from all the reference functions, which guarantees invariance of the theory with respect to unitary rotations of the reference functions. The method yields improved potentials in the vicinity of avoided crossings and conical intersections. The theory for computing nuclear energy gradients for MS-CASPT2 and XMS-CASPT2 is also presented and the first implementation of these gradient methods is reported. A number of illustrative applications of the new methods are presented.

Application of Classical and Lie Transform Methods to Zonal Perturbation in the Artificial Satellite

NASA Astrophysics Data System (ADS)

San-Juan, J. F.; San-Martin, M.; Perez, I.; Lopez-Ochoa, L. M.

2013-08-01

A scalable second-order analytical orbit propagator program is being carried out. This analytical orbit propagator combines modern perturbation methods, based on the canonical frame of the Lie transform, and classical perturbation methods in function of orbit types or the requirements needed for a space mission, such as catalog maintenance operations, long period evolution, and so on. As a first step on the validation of part of our orbit propagator, in this work we only consider the perturbation produced by zonal harmonic coefficients in the Earth's gravity potential, so that it is possible to analyze the behaviour of the perturbation methods involved in the corresponding analytical theories.

On the accuracy of Whitham's method. [for steady ideal gas flow past cones

NASA Technical Reports Server (NTRS)

Zahalak, G. I.; Myers, M. K.

1974-01-01

The steady flow of an ideal gas past a conical body is studied by the method of matched asymptotic expansions and by Whitham's method in order to assess the accuracy of the latter. It is found that while Whitham's method does not yield a correct asymptotic representation of the perturbation field to second order in regions where the flow ahead of the Mach cone of the apex is disturbed, it does correctly predict the changes of the second-order perturbation quantities across a shock (the first-order shock strength). The results of the analysis are illustrated by a special case of a flat, rectangular plate at incidence.

Perturbation theory in light-cone quantization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Langnau, A.

1992-01-01

A thorough investigation of light-cone properties which are characteristic for higher dimensions is very important. The easiest way of addressing these issues is by analyzing the perturbative structure of light-cone field theories first. Perturbative studies cannot be substituted for an analysis of problems related to a nonperturbative approach. However, in order to lay down groundwork for upcoming nonperturbative studies, it is indispensable to validate the renormalization methods at the perturbative level, i.e., to gain control over the perturbative treatment first. A clear understanding of divergences in perturbation theory, as well as their numerical treatment, is a necessary first step towardsmore » formulating such a program. The first objective of this dissertation is to clarify this issue, at least in second and fourth-order in perturbation theory. The work in this dissertation can provide guidance for the choice of counterterms in Discrete Light-Cone Quantization or the Tamm-Dancoff approach. A second objective of this work is the study of light-cone perturbation theory as a competitive tool for conducting perturbative Feynman diagram calculations. Feynman perturbation theory has become the most practical tool for computing cross sections in high energy physics and other physical properties of field theory. Although this standard covariant method has been applied to a great range of problems, computations beyond one-loop corrections are very difficult. Because of the algebraic complexity of the Feynman calculations in higher-order perturbation theory, it is desirable to automatize Feynman diagram calculations so that algebraic manipulation programs can carry out almost the entire calculation. This thesis presents a step in this direction. The technique we are elaborating on here is known as light-cone perturbation theory.« less

Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method

NASA Astrophysics Data System (ADS)

Jeanmairet, Guillaume; Sharma, Sandeep; Alavi, Ali

2017-01-01

In this article we report a stochastic evaluation of the recently proposed multireference linearized coupled cluster theory [S. Sharma and A. Alavi, J. Chem. Phys. 143, 102815 (2015)]. In this method, both the zeroth-order and first-order wavefunctions are sampled stochastically by propagating simultaneously two populations of signed walkers. The sampling of the zeroth-order wavefunction follows a set of stochastic processes identical to the one used in the full configuration interaction quantum Monte Carlo (FCIQMC) method. To sample the first-order wavefunction, the usual FCIQMC algorithm is augmented with a source term that spawns walkers in the sampled first-order wavefunction from the zeroth-order wavefunction. The second-order energy is also computed stochastically but requires no additional overhead outside of the added cost of sampling the first-order wavefunction. This fully stochastic method opens up the possibility of simultaneously treating large active spaces to account for static correlation and recovering the dynamical correlation using perturbation theory. The method is used to study a few benchmark systems including the carbon dimer and aromatic molecules. We have computed the singlet-triplet gaps of benzene and m-xylylene. For m-xylylene, which has proved difficult for standard complete active space self consistent field theory with perturbative correction, we find the singlet-triplet gap to be in good agreement with the experimental values.

Constraining compensated isocurvature perturbations using the CMB

NASA Astrophysics Data System (ADS)

Smith, Tristan L.; Rhiannon Smith, Kyle Yee, Julian Munoz, Daniel Grin

2017-01-01

Compensated isocurvature perturbations (CIPs) are variations in the cosmic baryon fraction which leave the total non-relativistic matter (and radiation) density unchanged. They are predicted by models of inflation which involve more than one scalar field, such as the curvaton scenario. At linear order, they leave the CMB two-point correlation function nearly unchanged: this is why existing constraints to CIPs are so much more permissive than constraints to typical isocurvature perturbations. Recent work articulated an efficient way to calculate the second order CIP effects on the CMB two-point correlation. We have implemented this method in order to explore constraints to the CIP amplitude using current Planck temperature and polarization data. In addition, we have computed the contribution of CIPs to the CMB lensing estimator which provides us with a novel method to use CMB data to place constraints on CIPs. We find that Planck data places a constraint to the CIP amplitude which is competitive with other methods.

Spin-component-scaled Møller-Plesset (SCS-MP) perturbation theory: a generalization of the MP approach with improved properties.

PubMed

Fink, Reinhold F

2010-11-07

A rigorous perturbation theory is proposed, which has the same second order energy as the spin-component-scaled Møller-Plesset second order (SCS-MP2) method of Grimme [J. Chem. Phys. 118, 9095 (2003)]. This upgrades SCS-MP2 to a systematically improvable, true wave-function-based method. The perturbation theory is defined by an unperturbed Hamiltonian, Ĥ(0), that contains the ordinary Fock operator and spin operators Ŝ(2) that act either on the occupied or the virtual orbital spaces. Two choices for Ĥ(0) are discussed and the importance of a spin-pure Ĥ((0)) is underlined. Like the SCS-MP2 approach, the theory contains two parameters (c(os) and c(ss)) that scale the opposite-spin and the same-spin contributions to the second order perturbation energy. It is shown that these parameters can be determined from theoretical considerations by a Feenberg scaling approach or a fit of the wave functions from the perturbation theory to the exact one from a full configuration interaction calculation. The parameters c(os)=1.15 and c(ss)=0.75 are found to be optimal for a reasonable test set of molecules. The meaning of these parameters and the consequences following from a well defined improved MP method are discussed.

Aspects of perturbation theory in quantum mechanics: The BenderWuMATHEMATICA® package

NASA Astrophysics Data System (ADS)

Sulejmanpasic, Tin; Ünsal, Mithat

2018-07-01

We discuss a general setup which allows the study of the perturbation theory of an arbitrary, locally harmonic 1D quantum mechanical potential as well as its multi-variable (many-body) generalization. The latter may form a prototype for regularized quantum field theory. We first generalize the method of Bender-Wu,and derive exact recursion relations which allow the determination of the perturbative wave-function and energy corrections to an arbitrary order, at least in principle. For 1D systems, we implement these equations in an easy to use MATHEMATICA® package we call BenderWu. Our package enables quick home-computer computation of high orders of perturbation theory (about 100 orders in 10-30 s, and 250 orders in 1-2 h) and enables practical study of a large class of problems in Quantum Mechanics. We have two hopes concerning the BenderWu package. One is that due to resurgence, large amount of non-perturbative information, such as non-perturbative energies and wave-functions (e.g. WKB wave functions), can in principle be extracted from the perturbative data. We also hope that the package may be used as a teaching tool, providing an effective bridge between perturbation theory and non-perturbative physics in textbooks. Finally, we show that for the multi-variable case, the recursion relation acquires a geometric character, and has a structure which allows parallelization to computer clusters.

Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation Theory.

PubMed

Vancoillie, Steven; Malmqvist, Per Åke; Veryazov, Valera

2016-04-12

The chromium dimer has long been a benchmark molecule to evaluate the performance of different computational methods ranging from density functional theory to wave function methods. Among the latter, multiconfigurational perturbation theory was shown to be able to reproduce the potential energy surface of the chromium dimer accurately. However, for modest active space sizes, it was later shown that different definitions of the zeroth-order Hamiltonian have a large impact on the results. In this work, we revisit the system for the third time with multiconfigurational perturbation theory, now in order to increase the active space of the reference wave function. This reduces the impact of the choice of zeroth-order Hamiltonian and improves the shape of the potential energy surface significantly. We conclude by comparing our results of the dissocation energy and vibrational spectrum to those obtained from several highly accurate multiconfigurational methods and experiment. For a meaningful comparison, we used the extrapolation to the complete basis set for all methods involved.

Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer.

PubMed

Kurashige, Yuki; Yanai, Takeshi

2011-09-07

We present a second-order perturbation theory based on a density matrix renormalization group self-consistent field (DMRG-SCF) reference function. The method reproduces the solution of the complete active space with second-order perturbation theory (CASPT2) when the DMRG reference function is represented by a sufficiently large number of renormalized many-body basis, thereby being named DMRG-CASPT2 method. The DMRG-SCF is able to describe non-dynamical correlation with large active space that is insurmountable to the conventional CASSCF method, while the second-order perturbation theory provides an efficient description of dynamical correlation effects. The capability of our implementation is demonstrated for an application to the potential energy curve of the chromium dimer, which is one of the most demanding multireference systems that require best electronic structure treatment for non-dynamical and dynamical correlation as well as large basis sets. The DMRG-CASPT2/cc-pwCV5Z calculations were performed with a large (3d double-shell) active space consisting of 28 orbitals. Our approach using large-size DMRG reference addressed the problems of why the dissociation energy is largely overestimated by CASPT2 with the small active space consisting of 12 orbitals (3d4s), and also is oversensitive to the choice of the zeroth-order Hamiltonian. © 2011 American Institute of Physics

Second-order small disturbance theory for hypersonic flow over power-law bodies. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Townsend, J. C.

1974-01-01

A mathematical method for determining the flow field about power-law bodies in hypersonic flow conditions is developed. The second-order solutions, which reflect the effects of the second-order terms in the equations, are obtained by applying the method of small perturbations in terms of body slenderness parameter to the zeroth-order solutions. The method is applied by writing each flow variable as the sum of a zeroth-order and a perturbation function, each multiplied by the axial variable raised to a power. The similarity solutions are developed for infinite Mach number. All results obtained are for no flow through the body surface (as a boundary condition), but the derivation indicates that small amounts of blowing or suction through the wall can be accommodated.

Analytic energy gradients for the orbital-optimized third-order Møller-Plesset perturbation theory

NASA Astrophysics Data System (ADS)

Bozkaya, Uǧur

2013-09-01

Analytic energy gradients for the orbital-optimized third-order Møller-Plesset perturbation theory (OMP3) [U. Bozkaya, J. Chem. Phys. 135, 224103 (2011)], 10.1063/1.3665134 are presented. The OMP3 method is applied to problematic chemical systems with challenging electronic structures. The performance of the OMP3 method is compared with those of canonical second-order Møller-Plesset perturbation theory (MP2), third-order Møller-Plesset perturbation theory (MP3), coupled-cluster singles and doubles (CCSD), and coupled-cluster singles and doubles with perturbative triples [CCSD(T)] for investigating equilibrium geometries, vibrational frequencies, and open-shell reaction energies. For bond lengths, the performance of OMP3 is in between those of MP3 and CCSD. For harmonic vibrational frequencies, the OMP3 method significantly eliminates the singularities arising from the abnormal response contributions observed for MP3 in case of symmetry-breaking problems, and provides noticeably improved vibrational frequencies for open-shell molecules. For open-shell reaction energies, OMP3 exhibits a better performance than MP3 and CCSD as in case of barrier heights and radical stabilization energies. As discussed in previous studies, the OMP3 method is several times faster than CCSD in energy computations. Further, in analytic gradient computations for the CCSD method one needs to solve λ-amplitude equations, however for OMP3 one does not since λ _{ab}^{ij(1)} = t_{ij}^{ab(1)} and λ _{ab}^{ij(2)} = t_{ij}^{ab(2)}. Additionally, one needs to solve orbital Z-vector equations for CCSD, but for OMP3 orbital response contributions are zero owing to the stationary property of OMP3. Overall, for analytic gradient computations the OMP3 method is several times less expensive than CCSD (roughly ˜4-6 times). Considering the balance of computational cost and accuracy we conclude that the OMP3 method emerges as a very useful tool for the study of electronically challenging chemical systems.

Analytic energy gradients for the orbital-optimized third-order Møller-Plesset perturbation theory.

PubMed

Bozkaya, Uğur

2013-09-14

Analytic energy gradients for the orbital-optimized third-order Møller-Plesset perturbation theory (OMP3) [U. Bozkaya, J. Chem. Phys. 135, 224103 (2011)] are presented. The OMP3 method is applied to problematic chemical systems with challenging electronic structures. The performance of the OMP3 method is compared with those of canonical second-order Møller-Plesset perturbation theory (MP2), third-order Møller-Plesset perturbation theory (MP3), coupled-cluster singles and doubles (CCSD), and coupled-cluster singles and doubles with perturbative triples [CCSD(T)] for investigating equilibrium geometries, vibrational frequencies, and open-shell reaction energies. For bond lengths, the performance of OMP3 is in between those of MP3 and CCSD. For harmonic vibrational frequencies, the OMP3 method significantly eliminates the singularities arising from the abnormal response contributions observed for MP3 in case of symmetry-breaking problems, and provides noticeably improved vibrational frequencies for open-shell molecules. For open-shell reaction energies, OMP3 exhibits a better performance than MP3 and CCSD as in case of barrier heights and radical stabilization energies. As discussed in previous studies, the OMP3 method is several times faster than CCSD in energy computations. Further, in analytic gradient computations for the CCSD method one needs to solve λ-amplitude equations, however for OMP3 one does not since λ(ab)(ij(1))=t(ij)(ab(1)) and λ(ab)(ij(2))=t(ij)(ab(2)). Additionally, one needs to solve orbital Z-vector equations for CCSD, but for OMP3 orbital response contributions are zero owing to the stationary property of OMP3. Overall, for analytic gradient computations the OMP3 method is several times less expensive than CCSD (roughly ~4-6 times). Considering the balance of computational cost and accuracy we conclude that the OMP3 method emerges as a very useful tool for the study of electronically challenging chemical systems.

Perturbative Quantum Gravity and its Relation to Gauge Theory.

PubMed

Bern, Zvi

2002-01-01

In this review we describe a non-trivial relationship between perturbative gauge theory and gravity scattering amplitudes. At the semi-classical or tree-level, the scattering amplitudes of gravity theories in flat space can be expressed as a sum of products of well defined pieces of gauge theory amplitudes. These relationships were first discovered by Kawai, Lewellen, and Tye in the context of string theory, but hold more generally. In particular, they hold for standard Einstein gravity. A method based on D -dimensional unitarity can then be used to systematically construct all quantum loop corrections order-by-order in perturbation theory using as input the gravity tree amplitudes expressed in terms of gauge theory ones. More generally, the unitarity method provides a means for perturbatively quantizing massless gravity theories without the usual formal apparatus associated with the quantization of constrained systems. As one application, this method was used to demonstrate that maximally supersymmetric gravity is less divergent in the ultraviolet than previously thought.

A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves

NASA Astrophysics Data System (ADS)

Giner, Emmanuel; Angeli, Celestino; Garniron, Yann; Scemama, Anthony; Malrieu, Jean-Paul

2017-06-01

The present paper introduces a new multi-reference perturbation approach developed at second order, based on a Jeziorski-Mokhorst expansion using individual Slater determinants as perturbers. Thanks to this choice of perturbers, an effective Hamiltonian may be built, allowing for the dressing of the Hamiltonian matrix within the reference space, assumed here to be a CAS-CI. Such a formulation accounts then for the coupling between the static and dynamic correlation effects. With our new definition of zeroth-order energies, these two approaches are strictly size-extensive provided that local orbitals are used, as numerically illustrated here and formally demonstrated in the Appendix. Also, the present formalism allows for the factorization of all double excitation operators, just as in internally contracted approaches, strongly reducing the computational cost of these two approaches with respect to other determinant-based perturbation theories. The accuracy of these methods has been investigated on ground-state potential curves up to full dissociation limits for a set of six molecules involving single, double, and triple bond breaking together with an excited state calculation. The spectroscopic constants obtained with the present methods are found to be in very good agreement with the full configuration interaction results. As the present formalism does not use any parameter or numerically unstable operation, the curves obtained with the two methods are smooth all along the dissociation path.

Theoretical investigation of cyromazine tautomerism using density functional theory and Møller–Plesset perturbation theory methods

USDA-ARS?s Scientific Manuscript database

A computational chemistry analysis of six unique tautomers of cyromazine, a pesticide used for fly control, was performed with density functional theory (DFT) and canonical second order Møller–Plesset perturbation theory (MP2) methods to gain insight into the contributions of molecular structure to ...

Double power series method for approximating cosmological perturbations

NASA Astrophysics Data System (ADS)

Wren, Andrew J.; Malik, Karim A.

2017-04-01

We introduce a double power series method for finding approximate analytical solutions for systems of differential equations commonly found in cosmological perturbation theory. The method was set out, in a noncosmological context, by Feshchenko, Shkil' and Nikolenko (FSN) in 1966, and is applicable to cases where perturbations are on subhorizon scales. The FSN method is essentially an extension of the well known Wentzel-Kramers-Brillouin (WKB) method for finding approximate analytical solutions for ordinary differential equations. The FSN method we use is applicable well beyond perturbation theory to solve systems of ordinary differential equations, linear in the derivatives, that also depend on a small parameter, which here we take to be related to the inverse wave-number. We use the FSN method to find new approximate oscillating solutions in linear order cosmological perturbation theory for a flat radiation-matter universe. Together with this model's well-known growing and decaying Mészáros solutions, these oscillating modes provide a complete set of subhorizon approximations for the metric potential, radiation and matter perturbations. Comparison with numerical solutions of the perturbation equations shows that our approximations can be made accurate to within a typical error of 1%, or better. We also set out a heuristic method for error estimation. A Mathematica notebook which implements the double power series method is made available online.

Perturbation expansions of stochastic wavefunctions for open quantum systems

NASA Astrophysics Data System (ADS)

Ke, Yaling; Zhao, Yi

2017-11-01

Based on the stochastic unravelling of the reduced density operator in the Feynman path integral formalism for an open quantum system in touch with harmonic environments, a new non-Markovian stochastic Schrödinger equation (NMSSE) has been established that allows for the systematic perturbation expansion in the system-bath coupling to arbitrary order. This NMSSE can be transformed in a facile manner into the other two NMSSEs, i.e., non-Markovian quantum state diffusion and time-dependent wavepacket diffusion method. Benchmarked by numerically exact results, we have conducted a comparative study of the proposed method in its lowest order approximation, with perturbative quantum master equations in the symmetric spin-boson model and the realistic Fenna-Matthews-Olson complex. It is found that our method outperforms the second-order time-convolutionless quantum master equation in the whole parameter regime and even far better than the fourth-order in the slow bath and high temperature cases. Besides, the method is applicable on an equal footing for any kind of spectral density function and is expected to be a powerful tool to explore the quantum dynamics of large-scale systems, benefiting from the wavefunction framework and the time-local appearance within a single stochastic trajectory.

A stable high-order perturbation of surfaces method for numerical simulation of diffraction problems in triply layered media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Youngjoon, E-mail: hongy@uic.edu; Nicholls, David P., E-mail: davidn@uic.edu

The accurate numerical simulation of linear waves interacting with periodic layered media is a crucial capability in engineering applications. In this contribution we study the stable and high-order accurate numerical simulation of the interaction of linear, time-harmonic waves with a periodic, triply layered medium with irregular interfaces. In contrast with volumetric approaches, High-Order Perturbation of Surfaces (HOPS) algorithms are inexpensive interfacial methods which rapidly and recursively estimate scattering returns by perturbation of the interface shape. In comparison with Boundary Integral/Element Methods, the stable HOPS algorithm we describe here does not require specialized quadrature rules, periodization strategies, or the solution ofmore » dense non-symmetric positive definite linear systems. In addition, the algorithm is provably stable as opposed to other classical HOPS approaches. With numerical experiments we show the remarkable efficiency, fidelity, and accuracy one can achieve with an implementation of this algorithm.« less

Tracking perturbations in Boolean networks with spectral methods

NASA Astrophysics Data System (ADS)

Kesseli, Juha; Rämö, Pauli; Yli-Harja, Olli

2005-08-01

In this paper we present a method for predicting the spread of perturbations in Boolean networks. The method is applicable to networks that have no regular topology. The prediction of perturbations can be performed easily by using a presented result which enables the efficient computation of the required iterative formulas. This result is based on abstract Fourier transform of the functions in the network. In this paper the method is applied to show the spread of perturbations in networks containing a distribution of functions found from biological data. The advances in the study of the spread of perturbations can directly be applied to enable ways of quantifying chaos in Boolean networks. Derrida plots over an arbitrary number of time steps can be computed and thus distributions of functions compared with each other with respect to the amount of order they create in random networks.

Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.

PubMed

Chen, Zhenhua; Hoffmann, Mark R

2012-07-07

A unitary wave operator, exp (G), G(+) = -G, is considered to transform a multiconfigurational reference wave function Φ to the potentially exact, within basis set limit, wave function Ψ = exp (G)Φ. To obtain a useful approximation, the Hausdorff expansion of the similarity transformed effective Hamiltonian, exp (-G)Hexp (G), is truncated at second order and the excitation manifold is limited; an additional separate perturbation approximation can also be made. In the perturbation approximation, which we refer to as multireference unitary second-order perturbation theory (MRUPT2), the Hamiltonian operator in the highest order commutator is approximated by a Mo̸ller-Plesset-type one-body zero-order Hamiltonian. If a complete active space self-consistent field wave function is used as reference, then the energy is invariant under orbital rotations within the inactive, active, and virtual orbital subspaces for both the second-order unitary coupled cluster method and its perturbative approximation. Furthermore, the redundancies of the excitation operators are addressed in a novel way, which is potentially more efficient compared to the usual full diagonalization of the metric of the excited configurations. Despite the loss of rigorous size-extensivity possibly due to the use of a variational approach rather than a projective one in the solution of the amplitudes, test calculations show that the size-extensivity errors are very small. Compared to other internally contracted multireference perturbation theories, MRUPT2 only needs reduced density matrices up to three-body even with a non-complete active space reference wave function when two-body excitations within the active orbital subspace are involved in the wave operator, exp (G). Both the coupled cluster and perturbation theory variants are amenable to large, incomplete model spaces. Applications to some widely studied model systems that can be problematic because of geometry dependent quasidegeneracy, H4, P4, and BeH(2), are performed in order to test the new methods on problems where full configuration interaction results are available.

Composite fuzzy sliding mode control of nonlinear singularly perturbed systems.

PubMed

Nagarale, Ravindrakumar M; Patre, B M

2014-05-01

This paper deals with the robust asymptotic stabilization for a class of nonlinear singularly perturbed systems using the fuzzy sliding mode control technique. In the proposed approach the original system is decomposed into two subsystems as slow and fast models by the singularly perturbed method. The composite fuzzy sliding mode controller is designed for stabilizing the full order system by combining separately designed slow and fast fuzzy sliding mode controllers. The two-time scale design approach minimizes the effect of boundary layer system on the full order system. A stability analysis allows us to provide sufficient conditions for the asymptotic stability of the full order closed-loop system. The simulation results show improved system performance of the proposed controller as compared to existing methods. The experimentation results validate the effectiveness of the proposed controller. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Apparatus and method for microwave processing of materials using field-perturbing tool

DOEpatents

Tucker, Denise A.; Fathi, Zakaryae; Lauf, Robert J.

2001-01-01

A variable frequency microwave heating apparatus designed to allow modulation of the frequency of the microwaves introduced into a multi-mode microwave cavity for heating or other selected applications. A field-perturbing tool is disposed within the cavity to perturb the microwave power distribution in order to apply a desired level of microwave power to the workpiece.

A multiple scales approach to sound generation by vibrating bodies

NASA Technical Reports Server (NTRS)

Geer, James F.; Pope, Dennis S.

1992-01-01

The problem of determining the acoustic field in an inviscid, isentropic fluid generated by a solid body whose surface executes prescribed vibrations is formulated and solved as a multiple scales perturbation problem, using the Mach number M based on the maximum surface velocity as the perturbation parameter. Following the idea of multiple scales, new 'slow' spacial scales are introduced, which are defined as the usual physical spacial scale multiplied by powers of M. The governing nonlinear differential equations lead to a sequence of linear problems for the perturbation coefficient functions. However, it is shown that the higher order perturbation functions obtained in this manner will dominate the lower order solutions unless their dependence on the slow spacial scales is chosen in a certain manner. In particular, it is shown that the perturbation functions must satisfy an equation similar to Burgers' equation, with a slow spacial scale playing the role of the time-like variable. The method is illustrated by a simple one-dimenstional example, as well as by three different cases of a vibrating sphere. The results are compared with solutions obtained by purely numerical methods and some insights provided by the perturbation approach are discussed.

Statistics of Smoothed Cosmic Fields in Perturbation Theory. I. Formulation and Useful Formulae in Second-Order Perturbation Theory

NASA Astrophysics Data System (ADS)

Matsubara, Takahiko

2003-02-01

We formulate a general method for perturbative evaluations of statistics of smoothed cosmic fields and provide useful formulae for application of the perturbation theory to various statistics. This formalism is an extensive generalization of the method used by Matsubara, who derived a weakly nonlinear formula of the genus statistic in a three-dimensional density field. After describing the general method, we apply the formalism to a series of statistics, including genus statistics, level-crossing statistics, Minkowski functionals, and a density extrema statistic, regardless of the dimensions in which each statistic is defined. The relation between the Minkowski functionals and other geometrical statistics is clarified. These statistics can be applied to several cosmic fields, including three-dimensional density field, three-dimensional velocity field, two-dimensional projected density field, and so forth. The results are detailed for second-order theory of the formalism. The effect of the bias is discussed. The statistics of smoothed cosmic fields as functions of rescaled threshold by volume fraction are discussed in the framework of second-order perturbation theory. In CDM-like models, their functional deviations from linear predictions plotted against the rescaled threshold are generally much smaller than that plotted against the direct threshold. There is still a slight meatball shift against rescaled threshold, which is characterized by asymmetry in depths of troughs in the genus curve. A theory-motivated asymmetry factor in the genus curve is proposed.

The two and three-loop matter bispectrum in perturbation theories

NASA Astrophysics Data System (ADS)

Lazanu, Andrei; Liguori, Michele

2018-04-01

We evaluate for the first time the dark matter bispectrum of large-scale structure at two loops in the Standard Perturbation Theory and at three loops in the Renormalised Perturbation Theory (MPTBREEZE formalism), removing in each case the leading divergences in the integrals in order to make them infrared-safe. We show that the Standard Perturbation Theory at two loops can be employed to model the matter bispectrum further into the quasi-nonlinear regime compared to the one loop, up to kmax ~ 0.1 h/Mpc at z = 0, but without reaching a high level of accuracy. In the case of the MPTBREEZE method, we show that its bispectra decay at smaller and smaller scales with increasing loop order, but with smaller improvements decreases with loop order. At three loops, this model predicts the bispectrum accurately up to scales kmax ~ 0.17 h/Mpc at z = 0 and kmax ~ 0.24 h/Mpc at z = 1.

Trigonometrically-fitted Scheifele two-step methods for perturbed oscillators

NASA Astrophysics Data System (ADS)

You, Xiong; Zhang, Yonghui; Zhao, Jinxi

2011-07-01

In this paper, a new family of trigonometrically-fitted Scheifele two-step (TFSTS) methods for the numerical integration of perturbed oscillators is proposed and investigated. An essential feature of TFSTS methods is that they are exact in both the internal stages and the updates when solving the unperturbed harmonic oscillator y″ = -ω2 y for known frequency ω. Based on the linear operator theory, the necessary and sufficient conditions for TFSTS methods of up to order five are derived. Two specific TFSTS methods of orders four and five respectively are constructed and their stability and phase properties are examined. In the five numerical experiments carried out the new integrators are shown to be more efficient and competent than some well-known methods in the literature.

Block correlated second order perturbation theory with a generalized valence bond reference function.

PubMed

Xu, Enhua; Li, Shuhua

2013-11-07

The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a "multi-orbital" block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Mo̸ller-Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods.

Compilation on the use of the stroboscopic method in orbital dynamics

NASA Astrophysics Data System (ADS)

Lecohier, G.

In this paper, the application of the stroboscopic method to orbital dynamics is described. As opposed to averaging methods, the stroboscopic solutions of the perturbed Lagrangian system are derived explicitly in the osculating elements which eases greatly their utilization in practical cases. Using this semi-analytical method, the first order solutions of the Lagrange equations including the perturbations by central body gravity field, the third-bodies, the radiation pressure and by the air-drag are derived. In a next step, the accuracy of the first order solution derived for the classical and equinoctial elements is assessed for the long-term prediction of highly eccentric, low altitude, polar and geostationary orbits is estimated.

Application of the enhanced homotopy perturbation method to solve the fractional-order Bagley-Torvik differential equation

NASA Astrophysics Data System (ADS)

Zolfaghari, M.; Ghaderi, R.; Sheikhol Eslami, A.; Ranjbar, A.; Hosseinnia, S. H.; Momani, S.; Sadati, J.

2009-10-01

The enhanced homotopy perturbation method (EHPM) is applied for finding improved approximate solutions of the well-known Bagley-Torvik equation for three different cases. The main characteristic of the EHPM is using a stabilized linear part, which guarantees the stability and convergence of the overall solution. The results are finally compared with the Adams-Bashforth-Moulton numerical method, the Adomian decomposition method (ADM) and the fractional differential transform method (FDTM) to verify the performance of the EHPM.

A simple method to design non-collision relative orbits for close spacecraft formation flying

NASA Astrophysics Data System (ADS)

Jiang, Wei; Li, JunFeng; Jiang, FangHua; Bernelli-Zazzera, Franco

2018-05-01

A set of linearized relative motion equations of spacecraft flying on unperturbed elliptical orbits are specialized for particular cases, where the leader orbit is circular or equatorial. Based on these extended equations, we are able to analyze the relative motion regulation between a pair of spacecraft flying on arbitrary unperturbed orbits with the same semi-major axis in close formation. Given the initial orbital elements of the leader, this paper presents a simple way to design initial relative orbital elements of close spacecraft with the same semi-major axis, thus preventing collision under non-perturbed conditions. Considering the mean influence of J 2 perturbation, namely secular J 2 perturbation, we derive the mean derivatives of orbital element differences, and then expand them to first order. Thus the first order expansion of orbital element differences can be added to the relative motion equations for further analysis. For a pair of spacecraft that will never collide under non-perturbed situations, we present a simple method to determine whether a collision will occur when J 2 perturbation is considered. Examples are given to prove the validity of the extended relative motion equations and to illustrate how the methods presented can be used. The simple method for designing initial relative orbital elements proposed here could be helpful to the preliminary design of the relative orbital elements between spacecraft in a close formation, when collision avoidance is necessary.

Subsonic panel method for designing wing surfaces from pressure distribution

NASA Technical Reports Server (NTRS)

Bristow, D. R.; Hawk, J. D.

1983-01-01

An iterative method has been developed for designing wing section contours corresponding to a prescribed subcritical distribution of pressure. The calculations are initialized by using a surface panel method to analyze a baseline wing or wing-fuselage configuration. A first-order expansion to the baseline panel method equations is then used to calculate a matrix containing the partial derivative of potential at each control point with respect to each unknown geometry parameter. In every iteration cycle, the matrix is used both to calculate the geometry perturbation and to analyze the perturbed geometry. The distribution of potential on the perturbed geometry is established by simple linear extrapolation from the baseline solution. The extrapolated potential is converted to pressure by Bernoulli's equation. Not only is the accuracy of the approach good for very large perturbations, but the computing cost of each complete iteration cycle is substantially less than one analysis solution by a conventional panel method.

Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theory.

PubMed

Granovsky, Alexander A

2011-06-07

The distinctive desirable features, both mathematically and physically meaningful, for all partially contracted multi-state multi-reference perturbation theories (MS-MR-PT) are explicitly formulated. The original approach to MS-MR-PT theory, called extended multi-configuration quasi-degenerate perturbation theory (XMCQDPT), having most, if not all, of the desirable properties is introduced. The new method is applied at the second order of perturbation theory (XMCQDPT2) to the 1(1)A(')-2(1)A(') conical intersection in allene molecule, the avoided crossing in LiF molecule, and the 1(1)A(1) to 2(1)A(1) electronic transition in cis-1,3-butadiene. The new theory has several advantages compared to those of well-established approaches, such as second order multi-configuration quasi-degenerate perturbation theory and multi-state-second order complete active space perturbation theory. The analysis of the prevalent approaches to the MS-MR-PT theory performed within the framework of the XMCQDPT theory unveils the origin of their common inherent problems. We describe the efficient implementation strategy that makes XMCQDPT2 an especially useful general-purpose tool in the high-level modeling of small to large molecular systems. © 2011 American Institute of Physics

Computerized implementation of higher-order electron-correlation methods and their linear-scaling divide-and-conquer extensions.

PubMed

Nakano, Masahiko; Yoshikawa, Takeshi; Hirata, So; Seino, Junji; Nakai, Hiromi

2017-11-05

We have implemented a linear-scaling divide-and-conquer (DC)-based higher-order coupled-cluster (CC) and Møller-Plesset perturbation theories (MPPT) as well as their combinations automatically by means of the tensor contraction engine, which is a computerized symbolic algebra system. The DC-based energy expressions of the standard CC and MPPT methods and the CC methods augmented with a perturbation correction were proposed for up to high excitation orders [e.g., CCSDTQ, MP4, and CCSD(2) TQ ]. The numerical assessment for hydrogen halide chains, polyene chains, and first coordination sphere (C1) model of photoactive yellow protein has revealed that the DC-based correlation methods provide reliable correlation energies with significantly less computational cost than that of the conventional implementations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Coupling-parameter expansion in thermodynamic perturbation theory.

PubMed

Ramana, A Sai Venkata; Menon, S V G

2013-02-01

An approach to the coupling-parameter expansion in the liquid state theory of simple fluids is presented by combining the ideas of thermodynamic perturbation theory and integral equation theories. This hybrid scheme avoids the problems of the latter in the two phase region. A method to compute the perturbation series to any arbitrary order is developed and applied to square well fluids. Apart from the Helmholtz free energy, the method also gives the radial distribution function and the direct correlation function of the perturbed system. The theory is applied for square well fluids of variable ranges and compared with simulation data. While the convergence of perturbation series and the overall performance of the theory is good, improvements are needed for potentials with shorter ranges. Possible directions for further developments in the coupling-parameter expansion are indicated.

Quasinormal modes of gravitational perturbation around regular Bardeen black hole surrounded by quintessence

NASA Astrophysics Data System (ADS)

Saleh, Mahamat; Thomas, Bouetou Bouetou; Kofane, Timoleon Crepin

2018-04-01

In this paper, Quasinormal modes of gravitational perturbation are investigated for the regular Bardeen black hole surrounded by quintessence. Considering the metric of the Bardeen spacetime surrounded by quintessence, we derived the perturbation equation for gravitational perturbation using Regge-Wheeler gauge. The third order Wentzel-Kramers-Brillouin (WKB) approximation method is used to evaluate quasinormal frequencies. Explicitly, the behaviors of the black hole potential and quasinormal modes were plotted. The results show that, due to the presence of quintessence, the gravitational perturbation around the black hole damps more slowly and oscillates more slowly.

Hybrid perturbation methods based on statistical time series models

NASA Astrophysics Data System (ADS)

San-Juan, Juan Félix; San-Martín, Montserrat; Pérez, Iván; López, Rosario

2016-04-01

In this work we present a new methodology for orbit propagation, the hybrid perturbation theory, based on the combination of an integration method and a prediction technique. The former, which can be a numerical, analytical or semianalytical theory, generates an initial approximation that contains some inaccuracies derived from the fact that, in order to simplify the expressions and subsequent computations, not all the involved forces are taken into account and only low-order terms are considered, not to mention the fact that mathematical models of perturbations not always reproduce physical phenomena with absolute precision. The prediction technique, which can be based on either statistical time series models or computational intelligence methods, is aimed at modelling and reproducing missing dynamics in the previously integrated approximation. This combination results in the precision improvement of conventional numerical, analytical and semianalytical theories for determining the position and velocity of any artificial satellite or space debris object. In order to validate this methodology, we present a family of three hybrid orbit propagators formed by the combination of three different orders of approximation of an analytical theory and a statistical time series model, and analyse their capability to process the effect produced by the flattening of the Earth. The three considered analytical components are the integration of the Kepler problem, a first-order and a second-order analytical theories, whereas the prediction technique is the same in the three cases, namely an additive Holt-Winters method.

Development of a multiple-parameter nonlinear perturbation procedure for transonic turbomachinery flows: Preliminary application to design/optimization problems

NASA Technical Reports Server (NTRS)

Stahara, S. S.; Elliott, J. P.; Spreiter, J. R.

1983-01-01

An investigation was conducted to continue the development of perturbation procedures and associated computational codes for rapidly determining approximations to nonlinear flow solutions, with the purpose of establishing a method for minimizing computational requirements associated with parametric design studies of transonic flows in turbomachines. The results reported here concern the extension of the previously developed successful method for single parameter perturbations to simultaneous multiple-parameter perturbations, and the preliminary application of the multiple-parameter procedure in combination with an optimization method to blade design/optimization problem. In order to provide as severe a test as possible of the method, attention is focused in particular on transonic flows which are highly supercritical. Flows past both isolated blades and compressor cascades, involving simultaneous changes in both flow and geometric parameters, are considered. Comparisons with the corresponding exact nonlinear solutions display remarkable accuracy and range of validity, in direct correspondence with previous results for single-parameter perturbations.

Symbolic derivation of high-order Rayleigh-Schroedinger perturbation energies using computer algebra: Application to vibrational-rotational analysis of diatomic molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herbert, John M.

1997-01-01

Rayleigh-Schroedinger perturbation theory is an effective and popular tool for describing low-lying vibrational and rotational states of molecules. This method, in conjunction with ab initio techniques for computation of electronic potential energy surfaces, can be used to calculate first-principles molecular vibrational-rotational energies to successive orders of approximation. Because of mathematical complexities, however, such perturbation calculations are rarely extended beyond the second order of approximation, although recent work by Herbert has provided a formula for the nth-order energy correction. This report extends that work and furnishes the remaining theoretical details (including a general formula for the Rayleigh-Schroedinger expansion coefficients) necessary formore » calculation of energy corrections to arbitrary order. The commercial computer algebra software Mathematica is employed to perform the prohibitively tedious symbolic manipulations necessary for derivation of generalized energy formulae in terms of universal constants, molecular constants, and quantum numbers. As a pedagogical example, a Hamiltonian operator tailored specifically to diatomic molecules is derived, and the perturbation formulae obtained from this Hamiltonian are evaluated for a number of such molecules. This work provides a foundation for future analyses of polyatomic molecules, since it demonstrates that arbitrary-order perturbation theory can successfully be applied with the aid of commercially available computer algebra software.« less

The Dalgarno-Lewis summation technique: Some comments and examples

NASA Astrophysics Data System (ADS)

Mavromatis, Harry A.

1991-08-01

The Dalgarno-Lewis technique [A. Dalgarno and J. T. Lewis, ``The exact calculation of long-range forces between atoms by perturbation theory,'' Proc. R. Soc. London Ser. A 233, 70-74 (1955)] provides an elegant method to obtain exact results for various orders in perturbation theory, while avoiding the infinite sums which arise in each order. In the present paper this technique, which perhaps has not been exploited as much as it could be, is first reviewed with attention to some of its not-so-straightforward details, and then six examples of the method are given using three different one-dimensional bases.

Representation of the exact relativistic electronic Hamiltonian within the regular approximation

NASA Astrophysics Data System (ADS)

Filatov, Michael; Cremer, Dieter

2003-12-01

The exact relativistic Hamiltonian for electronic states is expanded in terms of energy-independent linear operators within the regular approximation. An effective relativistic Hamiltonian has been obtained, which yields in lowest order directly the infinite-order regular approximation (IORA) rather than the zeroth-order regular approximation method. Further perturbational expansion of the exact relativistic electronic energy utilizing the effective Hamiltonian leads to new methods based on ordinary (IORAn) or double [IORAn(2)] perturbation theory (n: order of expansion), which provide improved energies in atomic calculations. Energies calculated with IORA4 and IORA3(2) are accurate up to c-20. Furthermore, IORA is improved by using the IORA wave function to calculate the Rayleigh quotient, which, if minimized, leads to the exact relativistic energy. The outstanding performance of this new IORA method coined scaled IORA is documented in atomic and molecular calculations.

Precision ESR Measurements of Transverse Anisotropy in the Single-molecule Magnet Ni4

NASA Astrophysics Data System (ADS)

Friedman, Jonathan; Collett, Charles; Allao Cassaro, Rafael

We present a method to precisely determine the transverse anisotropy in a single-molecule magnet (SMM) through electron-spin resonance measurements of a tunnel splitting that arises from the anisotropy via first-order perturbation theory. We demonstrate the technique using the SMM Ni4 diluted via co-crystallization in a diamagnetic isostructural analogue. At 5% dilution, we find markedly narrower resonance peaks than are observed in undiluted samples. Ni4 has a zero-field tunnel splitting of 4 GHz, and we measure that transition at several nearby frequencies using custom loop-gap resonators, allowing a precise determination of the tunnel splitting. Because the transition under investigation arises due to a first-order perturbation from the transverse anisotropy, and lies at zero field, we can relate the splitting to the transverse anisotropy independent of any other Hamiltonian parameters. This method can be applied to other SMMs with zero-field tunnel splittings arising from first-order transverse anisotropy perturbations. NSF Grant No. DMR-1310135.

Møller-Plesset perturbation theory gradient in the generalized hybrid orbital quantum mechanical and molecular mechanical method

NASA Astrophysics Data System (ADS)

Jung, Jaewoon; Sugita, Yuji; Ten-no, S.

2010-02-01

An analytic gradient expression is formulated and implemented for the second-order Møller-Plesset perturbation theory (MP2) based on the generalized hybrid orbital QM/MM method. The method enables us to obtain an accurate geometry at a reasonable computational cost. The performance of the method is assessed for various isomers of alanine dipepetide. We also compare the optimized structures of fumaramide-derived [2]rotaxane and cAMP-dependent protein kinase with experiment.

'Constraint consistency' at all orders in cosmological perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandi, Debottam; Shankaranarayanan, S., E-mail: debottam@iisertvm.ac.in, E-mail: shanki@iisertvm.ac.in

2015-08-01

We study the equivalence of two—order-by-order Einstein's equation and Reduced action—approaches to cosmological perturbation theory at all orders for different models of inflation. We point out a crucial consistency check which we refer to as 'Constraint consistency' condition that needs to be satisfied in order for the two approaches to lead to identical single variable equation of motion. The method we propose here is quick and efficient to check the consistency for any model including modified gravity models. Our analysis points out an important feature which is crucial for inflationary model building i.e., all 'constraint' inconsistent models have higher ordermore » Ostrogradsky's instabilities but the reverse is not true. In other words, one can have models with constraint Lapse function and Shift vector, though it may have Ostrogradsky's instabilities. We also obtain single variable equation for non-canonical scalar field in the limit of power-law inflation for the second-order perturbed variables.« less

Second-order cosmological perturbations. I. Produced by scalar-scalar coupling in synchronous gauge

NASA Astrophysics Data System (ADS)

Wang, Bo; Zhang, Yang

2017-11-01

We present a systematic study of the 2nd-order scalar, vector, and tensor metric perturbations in the Einstein-de Sitter Universe in synchronous coordinates. For the scalar-scalar coupling between 1st-order perturbations, we decompose the 2nd-order perturbed Einstein equation into the respective field equations of 2nd-order scalar, vector, and tensor perturbations, and obtain their solutions with general initial conditions. In particular, the decaying modes of solution are included, the 2nd-order vector is generated even if the 1st-order vector is absent, and the solution of the 2nd-order tensor corrects that in literature. We perform general synchronous-to-synchronous gauge transformations up to 2nd order generated by a 1st-order vector field ξ(1 )μ and a 2nd-order ξ(2 )μ . All the residual gauge modes of 2nd-order metric perturbations and density contrast are found, and their number is substantially reduced when the transformed 3-velocity of dust is set to zero. Moreover, we show that only ξ(2 )μ is effective in carrying out 2nd-order transformations that we consider, because ξ(1 )μ has been used in obtaining the 1st-order perturbations. Holding the 1st-order perturbations fixed, the transformations by ξ(2 )μ on the 2nd-order perturbations have the same structure as those by ξ(1 )μ on the 1st-order perturbations.

Periodic solutions of second-order nonlinear difference equations containing a small parameter. III - Perturbation theory

NASA Technical Reports Server (NTRS)

Mickens, R. E.

1986-01-01

A technique to construct a uniformly valid perturbation series solution to a particular class of nonlinear difference equations is shown. The method allows the determination of approximations to the periodic solutions to these equations. An example illustrating the technique is presented.

Keldysh meets Lindblad: Correlated Gain and Loss in Higher Order Perturbation Theory

NASA Astrophysics Data System (ADS)

Stace, Tom; Mueller, Clemens

Motivated by correlated decay processes driving gain, loss and lasing in driven artificial quantum systems, we develop a theoretical technique using Keldysh diagrammatic perturbation theory to derive a Lindblad master equation that goes beyond the usual second order perturbation theory. We demonstrate the method on the driven dissipative Rabi model, including terms up to fourth order in the interaction between the qubit and both the resonator and environment. This results in a large class of Lindblad dissipators and associated rates which go beyond the terms that have previously been proposed to describe similar systems. All of the additional terms contribute to the system behaviour at the same order of perturbation theory. We then apply these results to analyse the phonon-assisted steady-state gain of a microwave field driving a double quantum-dot in a resonator. We show that resonator gain and loss are substantially affected by dephasing- assisted dissipative processes in the quantum-dot system. These additional processes, which go beyond recently proposed polaronic theories, are in good quantitative agreement with experimental observations.

Perturbational and nonperturbational inversion of Rayleigh-wave velocities

USGS Publications Warehouse

Haney, Matt; Tsai, Victor C.

2017-01-01

The inversion of Rayleigh-wave dispersion curves is a classic geophysical inverse problem. We have developed a set of MATLAB codes that performs forward modeling and inversion of Rayleigh-wave phase or group velocity measurements. We describe two different methods of inversion: a perturbational method based on finite elements and a nonperturbational method based on the recently developed Dix-type relation for Rayleigh waves. In practice, the nonperturbational method can be used to provide a good starting model that can be iteratively improved with the perturbational method. Although the perturbational method is well-known, we solve the forward problem using an eigenvalue/eigenvector solver instead of the conventional approach of root finding. Features of the codes include the ability to handle any mix of phase or group velocity measurements, combinations of modes of any order, the presence of a surface water layer, computation of partial derivatives due to changes in material properties and layer boundaries, and the implementation of an automatic grid of layers that is optimally suited for the depth sensitivity of Rayleigh waves.

Hamiltonian approach to second order gauge invariant cosmological perturbations

NASA Astrophysics Data System (ADS)

Domènech, Guillem; Sasaki, Misao

2018-01-01

In view of growing interest in tensor modes and their possible detection, we clarify the definition of tensor modes up to 2nd order in perturbation theory within the Hamiltonian formalism. Like in gauge theory, in cosmology the Hamiltonian is a suitable and consistent approach to reduce the gauge degrees of freedom. In this paper we employ the Faddeev-Jackiw method of Hamiltonian reduction. An appropriate set of gauge invariant variables that describe the dynamical degrees of freedom may be obtained by suitable canonical transformations in the phase space. We derive a set of gauge invariant variables up to 2nd order in perturbation expansion and for the first time we reduce the 3rd order action without adding gauge fixing terms. In particular, we are able to show the relation between the uniform-ϕ and Newtonian slicings, and study the difference in the definition of tensor modes in these two slicings.

A numerical assessment of rough surface scattering theories. I - Horizontal polarization. II - Vertical polarization

NASA Technical Reports Server (NTRS)

Rodriguez, Ernesto; Kim, Yunjin; Durden, Stephen L.

1992-01-01

A numerical evaluation is presented of the regime of validity for various rough surface scattering theories against numerical results obtained by employing the method of moments. The contribution of each theory is considered up to second order in the perturbation expansion for the surface current. Considering both vertical and horizontal polarizations, the unified perturbation method provides best results among all theories weighed.

A note on 'The main problem of satellite theory for small eccentricities, by A. Deprit and A. Rom, 1970.'

NASA Technical Reports Server (NTRS)

Aksnes, K.

1971-01-01

Criticism of Deprit and Rom's (1970) extension of Brouwer's (1959) first-order satellite theory to the third order in J sub 2. It is noted that Deprit and Rom's theory suffers from the drawback that the perturbations of all orders are expressed as infinite power series in the eccentricity e. It is demonstrated that Deprit and Rom's reported failure to extend Brouwer's theory to the second order in a closed form by means of Lie transforms is due to an oversight and is not caused by difficulties inherent in the problem or in the particular perturbation method used.

Perturbed effects at radiation physics

NASA Astrophysics Data System (ADS)

Külahcı, Fatih; Şen, Zekâi

2013-09-01

Perturbation methodology is applied in order to assess the linear attenuation coefficient, mass attenuation coefficient and cross-section behavior with random components in the basic variables such as the radiation amounts frequently used in the radiation physics and chemistry. Additionally, layer attenuation coefficient (LAC) and perturbed LAC (PLAC) are proposed for different contact materials. Perturbation methodology provides opportunity to obtain results with random deviations from the average behavior of each variable that enters the whole mathematical expression. The basic photon intensity variation expression as the inverse exponential power law (as Beer-Lambert's law) is adopted for perturbation method exposition. Perturbed results are presented not only in terms of the mean but additionally the standard deviation and the correlation coefficients. Such perturbation expressions provide one to assess small random variability in basic variables.

The analysis of harmonic generation coefficients in the ablative Rayleigh-Taylor instability

NASA Astrophysics Data System (ADS)

Lu, Yan; Fan, Zhengfeng; Lu, Xinpei; Ye, Wenhua; Zou, Changlin; Zhang, Ziyun; Zhang, Wen

2017-10-01

In this research, we use the numerical simulation method to investigate the generation coefficients of the first three harmonics and the zeroth harmonic in the Ablative Rayleigh-Taylor Instability. It is shown that the interface shifts to the low temperature side during the ablation process. In consideration of the third-order perturbation theory, the first three harmonic amplitudes of the weakly nonlinear regime are calculated and then the harmonic generation coefficients are obtained by curve fitting. The simulation results show that the harmonic generation coefficients changed with time and wavelength. Using the higher-order perturbation theory, we find that more and more harmonics are generated in the later weakly nonlinear stage, which is caused by the negative feedback of the later higher harmonics. Furthermore, extending the third-order theory to the fifth-order theory, we find that the second and the third harmonics coefficients linearly depend on the wavelength, while the feedback coefficients are almost constant. Further analysis also shows that when the fifth-order theory is considered, the normalized effective amplitudes of second and third harmonics can reach about 25%-40%, which are only 15%-25% in the frame of the previous third-order theory. Therefore, the third order perturbation theory is needed to be modified by the higher-order theory when ηL reaches about 20% of the perturbation wavelength.

Perturbative Gaussianizing transforms for cosmological fields

NASA Astrophysics Data System (ADS)

Hall, Alex; Mead, Alexander

2018-01-01

Constraints on cosmological parameters from large-scale structure have traditionally been obtained from two-point statistics. However, non-linear structure formation renders these statistics insufficient in capturing the full information content available, necessitating the measurement of higher order moments to recover information which would otherwise be lost. We construct quantities based on non-linear and non-local transformations of weakly non-Gaussian fields that Gaussianize the full multivariate distribution at a given order in perturbation theory. Our approach does not require a model of the fields themselves and takes as input only the first few polyspectra, which could be modelled or measured from simulations or data, making our method particularly suited to observables lacking a robust perturbative description such as the weak-lensing shear. We apply our method to simulated density fields, finding a significantly reduced bispectrum and an enhanced correlation with the initial field. We demonstrate that our method reconstructs a large proportion of the linear baryon acoustic oscillations, improving the information content over the raw field by 35 per cent. We apply the transform to toy 21 cm intensity maps, showing that our method still performs well in the presence of complications such as redshift-space distortions, beam smoothing, pixel noise and foreground subtraction. We discuss how this method might provide a route to constructing a perturbative model of the fully non-Gaussian multivariate likelihood function.

Creation of a magnetic barrier at a noble q close to physical midpoint between two resonant surfaces in the ASDEX UG tokamak

NASA Astrophysics Data System (ADS)

Vazquez, Justin; Ali, Halima; Punjabi, Alkesh

2009-11-01

Ciraolo, Vittot and Chandre method of building invariant manifolds inside chaos in Hamiltonian systems [Ali H. and Punjabi A, Plasma Phys. Control. Fusion, 49, 1565--1582 (2007)] is used in the ASDEX UG tokamak. In this method, a second order perturbation is added to the perturbed Hamiltonian [op cit]. It creates an invariant torus inside the chaos, and reduces the plasma transport. The perturbation that is added to the equilibrium Hamiltonian is at least an order of magnitude smaller than the perturbation that causes chaos. This additional term has a finite, limited number of Fourier modes. Resonant magnetic perturbations (m,n) = (3,2)+(4,3) are added to the field line Hamiltonian for the ASDEX UG. An area-preserving map for the field line trajectories in the ASDEX UG is used. The common amplitude δ of these modes that gives complete chaos between the resonant surfaces ψ43 and ψ32 is determined. A magnetic barrier is built at a surface with noble q that is very nearly equals to the q at the physical midpoint between the two resonant surfaces. The maximum amplitude of magnetic perturbation for which this barrier can be sustained is determined. This work is supported by US Department of Energy grants DE-FG02-07ER54937, DE-FG02-01ER54624 and DE-FG02-04ER54793.

Third-order Zeeman effect in highly charged ions

NASA Astrophysics Data System (ADS)

Varentsova, A. S.; Agababaev, V. A.; Volchkova, A. M.; Glazov, D. A.; Volotka, A. V.; Shabaev, V. M.; Plunien, G.

2017-10-01

The contribution of the third order in magnetic field to the Zeeman splitting of the ground state of hydrogenlike, lithiumlike, and boronlike ions in the range Z = 6 - 82 is investigated within the relativistic approach. Both perturbative and non-perturbative methods of calculation are employed and found to be in agreement. For lithiumlike and boronlike ions the interelectronic-interaction effects are taken into account within the approximation of the local screening potential. The contribution of the third-order effect in low- and medium-Z boronlike ions is found to be important for anticipated high-precision measurements.

A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yost, Shane R.; Kowalczyk, Tim; Van Voorhis, Troy, E-mail: tvan@mit.edu

2013-11-07

In this article we propose the ΔSCF(2) framework, a multireference strategy based on second-order perturbation theory, for ground and excited electronic states. Unlike the complete active space family of methods, ΔSCF(2) employs a set of self-consistent Hartree-Fock determinants, also known as ΔSCF states. Each ΔSCF electronic state is modified by a first-order correction from Møller-Plesset perturbation theory and used to construct a Hamiltonian in a configuration interactions like framework. We present formulas for the resulting matrix elements between nonorthogonal states that scale as N{sub occ}{sup 2}N{sub virt}{sup 3}. Unlike most active space methods, ΔSCF(2) treats the ground and excited statemore » determinants even-handedly. We apply ΔSCF(2) to the H{sub 2}, hydrogen fluoride, and H{sub 4} systems and show that the method provides accurate descriptions of ground- and excited-state potential energy surfaces with no single active space containing more than 10 ΔSCF states.« less

Numerical method for the solution of large systems of differential equations of the boundary layer type

NASA Technical Reports Server (NTRS)

Green, M. J.; Nachtsheim, P. R.

1972-01-01

A numerical method for the solution of large systems of nonlinear differential equations of the boundary-layer type is described. The method is a modification of the technique for satisfying asymptotic boundary conditions. The present method employs inverse interpolation instead of the Newton method to adjust the initial conditions of the related initial-value problem. This eliminates the so-called perturbation equations. The elimination of the perturbation equations not only reduces the user's preliminary work in the application of the method, but also reduces the number of time-consuming initial-value problems to be numerically solved at each iteration. For further ease of application, the solution of the overdetermined system for the unknown initial conditions is obtained automatically by applying Golub's linear least-squares algorithm. The relative ease of application of the proposed numerical method increases directly as the order of the differential-equation system increases. Hence, the method is especially attractive for the solution of large-order systems. After the method is described, it is applied to a fifth-order problem from boundary-layer theory.

Quantum mechanical/molecular mechanical/continuum style solvation model: second order Møller-Plesset perturbation theory.

PubMed

Thellamurege, Nandun M; Si, Dejun; Cui, Fengchao; Li, Hui

2014-05-07

A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths of the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.

Applications of direct numerical simulation of turbulence in second order closures

NASA Technical Reports Server (NTRS)

Shih, Tsan-Hsing; Lumley, John L.

1995-01-01

This paper discusses two methods of developing models for the rapid pressure-strain correlation term in the Reynolds stress transport equation using direct numerical simulation (DNS) data. One is a perturbation about isotropic turbulence, the other is a perturbation about two-component turbulence -- an extremely anisotropic turbulence. A model based on the latter method is proposed and is found to be very promising when compared with DNS data and other models.

Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

PubMed

Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

2016-07-12

A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

Second-order singular pertubative theory for gravitational lenses

NASA Astrophysics Data System (ADS)

Alard, C.

2018-03-01

The extension of the singular perturbative approach to the second order is presented in this paper. The general expansion to the second order is derived. The second-order expansion is considered as a small correction to the first-order expansion. Using this approach, it is demonstrated that in practice the second-order expansion is reducible to a first order expansion via a re-definition of the first-order pertubative fields. Even if in usual applications the second-order correction is small the reducibility of the second-order expansion to the first-order expansion indicates a potential degeneracy issue. In general, this degeneracy is hard to break. A useful and simple second-order approximation is the thin source approximation, which offers a direct estimation of the correction. The practical application of the corrections derived in this paper is illustrated by using an elliptical NFW lens model. The second-order pertubative expansion provides a noticeable improvement, even for the simplest case of thin source approximation. To conclude, it is clear that for accurate modelization of gravitational lenses using the perturbative method the second-order perturbative expansion should be considered. In particular, an evaluation of the degeneracy due to the second-order term should be performed, for which the thin source approximation is particularly useful.

Radiation from a D-dimensional collision of shock waves: Two-dimensional reduction and Carter-Penrose diagram

NASA Astrophysics Data System (ADS)

Coelho, Flávio S.; Sampaio, Marco O. P.

2016-05-01

We analyze the causal structure of the two-dimensional (2D) reduced background used in the perturbative treatment of a head-on collision of two D-dimensional Aichelburg-Sexl gravitational shock waves. After defining all causal boundaries, namely the future light-cone of the collision and the past light-cone of a future observer, we obtain characteristic coordinates using two independent methods. The first is a geometrical construction of the null rays which define the various light cones, using a parametric representation. The second is a transformation of the 2D reduced wave operator for the problem into a hyperbolic form. The characteristic coordinates are then compactified allowing us to represent all causal light rays in a conformal Carter-Penrose diagram. Our construction holds to all orders in perturbation theory. In particular, we can easily identify the singularities of the source functions and of the Green’s functions appearing in the perturbative expansion, at each order, which is crucial for a successful numerical evaluation of any higher order corrections using this method.

W -Boson Production in Association with a Jet at Next-to-Next-to-Leading Order in Perturbative QCD

NASA Astrophysics Data System (ADS)

Boughezal, Radja; Focke, Christfried; Liu, Xiaohui; Petriello, Frank

2015-08-01

We present the complete calculation of W -boson production in association with a jet in hadronic collisions through next-to-next-to-leading order (NNLO) in perturbative QCD. To cancel infrared divergences, we discuss a new subtraction method that exploits the fact that the N -jettiness event-shape variable fully captures the singularity structure of QCD amplitudes with final-state partons. This method holds for processes with an arbitrary number of jets and is easily implemented into existing frameworks for higher-order calculations. We present initial phenomenological results for W +jet production at the LHC. The NNLO corrections are small and lead to a significantly reduced theoretical error, opening the door to precision measurements in the W +jet channel at the LHC.

Linear perturbations of a Schwarzschild blackhole by thin disc - convergence

NASA Astrophysics Data System (ADS)

Čížek, P.; Semerák, O.

2012-07-01

In order to find the perturbation of a Schwarzschild space-time due to a rotating thin disc, we try to adjust the method used by [4] in the case of perturbation by a one-dimensional ring. This involves solution of stationary axisymmetric Einstein's equations in terms of spherical-harmonic expansions whose convergence however turned out questionable in numerical examples. Here we show, analytically, that the series are almost everywhere convergent, but in some regions the convergence is not absolute.

Multiple Revolution Solutions for the Perturbed Lambert Problem using the Method of Particular Solutions and Picard Iteration

NASA Astrophysics Data System (ADS)

Woollands, Robyn M.; Read, Julie L.; Probe, Austin B.; Junkins, John L.

2017-12-01

We present a new method for solving the multiple revolution perturbed Lambert problem using the method of particular solutions and modified Chebyshev-Picard iteration. The method of particular solutions differs from the well-known Newton-shooting method in that integration of the state transition matrix (36 additional differential equations) is not required, and instead it makes use of a reference trajectory and a set of n particular solutions. Any numerical integrator can be used for solving two-point boundary problems with the method of particular solutions, however we show that using modified Chebyshev-Picard iteration affords an avenue for increased efficiency that is not available with other step-by-step integrators. We take advantage of the path approximation nature of modified Chebyshev-Picard iteration (nodes iteratively converge to fixed points in space) and utilize a variable fidelity force model for propagating the reference trajectory. Remarkably, we demonstrate that computing the particular solutions with only low fidelity function evaluations greatly increases the efficiency of the algorithm while maintaining machine precision accuracy. Our study reveals that solving the perturbed Lambert's problem using the method of particular solutions with modified Chebyshev-Picard iteration is about an order of magnitude faster compared with the classical shooting method and a tenth-twelfth order Runge-Kutta integrator. It is well known that the solution to Lambert's problem over multiple revolutions is not unique and to ensure that all possible solutions are considered we make use of a reliable preexisting Keplerian Lambert solver to warm start our perturbed algorithm.

The Harmonic Oscillator with a Gaussian Perturbation: Evaluation of the Integrals and Example Applications

ERIC Educational Resources Information Center

Earl, Boyd L.

2008-01-01

A general result for the integrals of the Gaussian function over the harmonic oscillator wavefunctions is derived using generating functions. Using this result, an example problem of a harmonic oscillator with various Gaussian perturbations is explored in order to compare the results of precise numerical solution, the variational method, and…

Fractional Order PIλDμ Control for Maglev Guiding System

NASA Astrophysics Data System (ADS)

Hu, Qing; Hu, Yuwei

To effectively suppress the external disturbances and parameter perturbation problem of the maglev guiding system, and improve speed and robustness, the electromagnetic guiding system is exactly linearized using state feedback method, Fractional calculus theory is introduced, the order of integer order PID control was extended to the field of fractional, then fractional order PIλDμ Controller was presented, Due to the extra two adjustable parameters compared with traditional PID controller, fractional order PIλDμ controllers were expected to show better control performance. The results of the computer simulation show that the proposed controller suppresses the external disturbances and parameter perturbation of the system effectively; the system response speed was increased; at the same time, it had flexible structure and stronger robustness.

Dirac equation on a curved surface

NASA Astrophysics Data System (ADS)

Brandt, F. T.; Sánchez-Monroy, J. A.

2016-09-01

The dynamics of Dirac particles confined to a curved surface is examined employing the thin-layer method. We perform a perturbative expansion to first-order and split the Dirac field into normal and tangential components to the surface. In contrast to the known behavior of second order equations like Schrödinger, Maxwell and Klein-Gordon, we find that there is no geometric potential for the Dirac equation on a surface. This implies that the non-relativistic limit does not commute with the thin-layer method. Although this problem can be overcome when second-order terms are retained in the perturbative expansion, this would preclude the decoupling of the normal and tangential degrees of freedom. Therefore, we propose to introduce a first-order term which rescues the non-relativistic limit and also clarifies the effect of the intrinsic and extrinsic curvatures on the dynamics of the Dirac particles.

Permeability Sensitivity Functions and Rapid Simulation of Hydraulic-Testing Measurements Using Perturbation Theory

NASA Astrophysics Data System (ADS)

Escobar Gómez, J. D.; Torres-Verdín, C.

2018-03-01

Single-well pressure-diffusion simulators enable improved quantitative understanding of hydraulic-testing measurements in the presence of arbitrary spatial variations of rock properties. Simulators of this type implement robust numerical algorithms which are often computationally expensive, thereby making the solution of the forward modeling problem onerous and inefficient. We introduce a time-domain perturbation theory for anisotropic permeable media to efficiently and accurately approximate the transient pressure response of spatially complex aquifers. Although theoretically valid for any spatially dependent rock/fluid property, our single-phase flow study emphasizes arbitrary spatial variations of permeability and anisotropy, which constitute key objectives of hydraulic-testing operations. Contrary to time-honored techniques, the perturbation method invokes pressure-flow deconvolution to compute the background medium's permeability sensitivity function (PSF) with a single numerical simulation run. Subsequently, the first-order term of the perturbed solution is obtained by solving an integral equation that weighs the spatial variations of permeability with the spatial-dependent and time-dependent PSF. Finally, discrete convolution transforms the constant-flow approximation to arbitrary multirate conditions. Multidimensional numerical simulation studies for a wide range of single-well field conditions indicate that perturbed solutions can be computed in less than a few CPU seconds with relative errors in pressure of <5%, corresponding to perturbations in background permeability of up to two orders of magnitude. Our work confirms that the proposed joint perturbation-convolution (JPC) method is an efficient alternative to analytical and numerical solutions for accurate modeling of pressure-diffusion phenomena induced by Neumann or Dirichlet boundary conditions.

Discrete sudden perturbation theory for inelastic scattering. I. Quantum and semiclassical treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cross, R.J.

1985-12-01

A double perturbation theory is constructed to treat rotationally and vibrationally inelastic scattering. It uses both the elastic scattering from the spherically averaged potential and the infinite-order sudden (IOS) approximation as the unperturbed solutions. First, a standard perturbation expansion is done to express the radial wave functions in terms of the elastic wave functions. The resulting coupled equations are transformed to the discrete-variable representation where the IOS equations are diagonal. Then, the IOS solutions are removed from the equations which are solved by an exponential perturbation approximation. The results for Ar+N/sub 2/ are very much more accurate than the IOSmore » and somewhat more accurate than a straight first-order exponential perturbation theory. The theory is then converted into a semiclassical, time-dependent form by using the WKB approximation. The result is an integral of the potential times a slowly oscillating factor over the classical trajectory. A method of interpolating the result is given so that the calculation is done at the average velocity for a given transition. With this procedure, the semiclassical version of the theory is more accurate than the quantum version and very much faster. Calculations on Ar+N/sub 2/ show the theory to be much more accurate than the infinite-order sudden (IOS) approximation and the exponential time-dependent perturbation theory.« less

Quantum mechanical/molecular mechanical/continuum style solvation model: Second order Møller-Plesset perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thellamurege, Nandun M.; Si, Dejun; Cui, Fengchao

A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths ofmore » the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.« less

Second-Order Moller-Plesset Perturbation Theory for Molecular Dirac-Hartree-Fock Wave Functions

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.; Arnold, James O. (Technical Monitor)

1994-01-01

Moller-Plesset perturbation theory is developed to second order for a selection of Kramers restricted Dirac-Hartree-Fock closed and open-shell reference wave functions. The open-shell wave functions considered are limited to those with no more than two electrons in open shells, but include the case of a two-configuration SCF reference. Denominator shifts are included in the style of Davidson's OPT2 method. An implementation which uses unordered integrals with labels is presented, and results are given for a few test cases.

Relativistic satellite orbits: central body with higher zonal harmonics

NASA Astrophysics Data System (ADS)

Schanner, Maximilian; Soffel, Michael

2018-06-01

Satellite orbits around a central body with arbitrary zonal harmonics are considered in a relativistic framework. Our starting point is the relativistic Celestial Mechanics based upon the first post-Newtonian approximation to Einstein's theory of gravity as it has been formulated by Damour et al. (Phys Rev D 43:3273-3307, 1991; 45:1017-1044, 1992; 47:3124-3135, 1993; 49:618-635, 1994). Since effects of order (GM/c^2R) × J_k with k ≥ 2 for the Earth are very small (of order 7 × 10^{-10} × J_k) we consider an axially symmetric body with arbitrary zonal harmonics and a static external gravitational field. In such a field the explicit J_k/c^2-terms (direct terms) in the equations of motion for the coordinate acceleration of a satellite are treated first with first-order perturbation theory. The derived perturbation theoretical results of first order have been checked by purely numerical integrations of the equations of motion. Additional terms of the same order result from the interaction of the Newtonian J_k-terms with the post-Newtonian Schwarzschild terms (relativistic terms related to the mass of the central body). These `mixed terms' are treated by means of second-order perturbation theory based on the Lie-series method (Hori-Deprit method). Here we concentrate on the secular drifts of the ascending node <{\\dot{Ω }}> and argument of the pericenter <{\\dot{ω }}>. Finally orders of magnitude are given and discussed.

A novel method to optimize the mode spectrum of the dynamic resonant magnetic perturbation on the J-TEXT tokamak.

PubMed

Yi, B; Rao, B; Ding, Y H; Li, M; Xu, H Y; Zhang, M; Zhuang, G; Pan, Y

2014-11-01

The dynamic resonant magnetic perturbation (DRMP) system has been developed for the J-TEXT tokamak to study the interaction between the rotating perturbation magnetic field and the plasma. When the DRMP coils are energized by two phase sinusoidal currents with the same frequency, a 2/1 rotating resonant magnetic perturbation component will be generated. But at the same time, a small perturbation component rotating in the opposite direction is also produced because of the control error of the currents. This small component has bad influence on the experiment investigations. Actually, the mode spectrum of the generated DRMP can be optimized with an accurate control of phase difference between the two currents. In this paper, a new phase control method based on a novel all-digital phase-locked loop (ADPLL) is proposed. The proposed method features accurate phase control and flexible phase adjustment. Modeling and analysis of the proposed ADPLL is presented to guide the design of the parameters of the phase controller in order to obtain a better performance. Testing results verify the effectiveness of the ADPLL and validity of the method applying to the DRMP system.

A novel method to optimize the mode spectrum of the dynamic resonant magnetic perturbation on the J-TEXT tokamak

NASA Astrophysics Data System (ADS)

Yi, B.; Rao, B.; Ding, Y. H.; Li, M.; Xu, H. Y.; Zhang, M.; Zhuang, G.; Pan, Y.

2014-11-01

The dynamic resonant magnetic perturbation (DRMP) system has been developed for the J-TEXT tokamak to study the interaction between the rotating perturbation magnetic field and the plasma. When the DRMP coils are energized by two phase sinusoidal currents with the same frequency, a 2/1 rotating resonant magnetic perturbation component will be generated. But at the same time, a small perturbation component rotating in the opposite direction is also produced because of the control error of the currents. This small component has bad influence on the experiment investigations. Actually, the mode spectrum of the generated DRMP can be optimized with an accurate control of phase difference between the two currents. In this paper, a new phase control method based on a novel all-digital phase-locked loop (ADPLL) is proposed. The proposed method features accurate phase control and flexible phase adjustment. Modeling and analysis of the proposed ADPLL is presented to guide the design of the parameters of the phase controller in order to obtain a better performance. Testing results verify the effectiveness of the ADPLL and validity of the method applying to the DRMP system.

Size consistent formulations of the perturb-then-diagonalize Møller-Plesset perturbation theory correction to non-orthogonal configuration interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yost, Shane R.; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

2016-08-07

In this paper we introduce two size consistent forms of the non-orthogonal configuration interaction with second-order Møller-Plesset perturbation theory method, NOCI-MP2. We show that the original NOCI-MP2 formulation [S. R. Yost, T. Kowalczyk, and T. VanVoorh, J. Chem. Phys. 193, 174104 (2013)], which is a perturb-then-diagonalize multi-reference method, is not size consistent. We also show that this causes significant errors in large systems like the linear acenes. By contrast, the size consistent versions of the method give satisfactory results for singlet and triplet excited states when compared to other multi-reference methods that include dynamic correlation. For NOCI-MP2 however, the numbermore » of required determinants to yield similar levels of accuracy is significantly smaller. These results show the promise of the NOCI-MP2 method, though work still needs to be done in creating a more consistent black-box approach to computing the determinants that comprise the many-electron NOCI basis.« less

Accelerated perturbation-resilient block-iterative projection methods with application to image reconstruction

PubMed Central

Nikazad, T; Davidi, R; Herman, G. T.

2013-01-01

We study the convergence of a class of accelerated perturbation-resilient block-iterative projection methods for solving systems of linear equations. We prove convergence to a fixed point of an operator even in the presence of summable perturbations of the iterates, irrespective of the consistency of the linear system. For a consistent system, the limit point is a solution of the system. In the inconsistent case, the symmetric version of our method converges to a weighted least squares solution. Perturbation resilience is utilized to approximate the minimum of a convex functional subject to the equations. A main contribution, as compared to previously published approaches to achieving similar aims, is a more than an order of magnitude speed-up, as demonstrated by applying the methods to problems of image reconstruction from projections. In addition, the accelerated algorithms are illustrated to be better, in a strict sense provided by the method of statistical hypothesis testing, than their unaccelerated versions for the task of detecting small tumors in the brain from X-ray CT projection data. PMID:23440911

Accelerated perturbation-resilient block-iterative projection methods with application to image reconstruction.

PubMed

Nikazad, T; Davidi, R; Herman, G T

2012-03-01

We study the convergence of a class of accelerated perturbation-resilient block-iterative projection methods for solving systems of linear equations. We prove convergence to a fixed point of an operator even in the presence of summable perturbations of the iterates, irrespective of the consistency of the linear system. For a consistent system, the limit point is a solution of the system. In the inconsistent case, the symmetric version of our method converges to a weighted least squares solution. Perturbation resilience is utilized to approximate the minimum of a convex functional subject to the equations. A main contribution, as compared to previously published approaches to achieving similar aims, is a more than an order of magnitude speed-up, as demonstrated by applying the methods to problems of image reconstruction from projections. In addition, the accelerated algorithms are illustrated to be better, in a strict sense provided by the method of statistical hypothesis testing, than their unaccelerated versions for the task of detecting small tumors in the brain from X-ray CT projection data.

Numerical analysis of soliton solutions of the modified Korteweg-de Vries-sine-Gordon equation

NASA Astrophysics Data System (ADS)

Popov, S. P.

2015-03-01

Multisoliton solutions of the modified Korteweg-de Vries-sine-Gordon equation (mKdV-SG) are found numerically by applying the quasi-spectral Fourier method and the fourth-order Runge-Kutta method. The accuracy and features of the approach are determined as applied to problems with initial data in the form of various combinations of perturbed soliton distributions. Three-soliton solutions are obtained, and the generation of kinks, breathers, wobblers, perturbed kinks, and nonlinear oscillatory waves is studied.

Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

PubMed

Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

2012-01-21

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

Método perturbativo aplicado a gravidade de quarta ordem e a relatividade geral corrigida pelo grupo de renormalização

NASA Astrophysics Data System (ADS)

Filho, Sebastião Mauro

2017-01-01

In this thesis we applied the perturbative method, on a classical level, to the fourth-order gravity and the Renormalization Group extended General Relativity (RGGR). We will consider auxiliary fields formulation for the general fourth-order gravity on an arbitrary curved back-ground to analyze the metric perturbations in this theory. The case of a Ricci-flat background was elaborated in detail. We noticed that the use of auxiliary fields helps to make the pertur-bative analysis easier and the results more clear. As an application we reconsider the stability problem of the Schwarzschild and Kerr black holes in the fourth-order gravity. We also used the perturbative method to develop the Newtonian and post-Newtonian limits of RGGR. In the Solar System, RGGR depends on a single dimensionless parameter 0, and this parameter is such that for 0 = 0 one fully recovers General Relativity in the Solar System. In order to study the Newtonian limit we used the conformal transformation technique and the dynamics of the Laplace-Runge-Lenz vector (LRL). In this way, we could estimate the upper bound for 0 within the Solar System in two case: the case where the external potential effect is considered and the another when it is not considered. Previously this parameter was constrained to be 0 < 10-21, without considering the external potential effect. However, as we showed, when such an effect is considered this bound increases by five orders of magnitude, O < 10-16. Moreover, we showed that under a certain approximation RGGR can be easily tested using the parametrized post-Newtonian (PPN) formalism.

Geometric Integration of Weakly Dissipative Systems

NASA Astrophysics Data System (ADS)

Modin, K.; Führer, C.; Soöderlind, G.

2009-09-01

Some problems in mechanics, e.g. in bearing simulation, contain subsystems that are conservative as well as weakly dissipative subsystems. Our experience is that geometric integration methods are often superior for such systems, as long as the dissipation is weak. Here we develop adaptive methods for dissipative perturbations of Hamiltonian systems. The methods are "geometric" in the sense that the form of the dissipative perturbation is preserved. The methods are linearly explicit, i.e., they require the solution of a linear subsystem. We sketch an analysis in terms of backward error analysis and numerical comparisons with a conventional RK method of the same order is given.

Multiconfiguration Pair-Density Functional Theory Predicts Spin-State Ordering in Iron Complexes with the Same Accuracy as Complete Active Space Second-Order Perturbation Theory at a Significantly Reduced Computational Cost.

PubMed

Wilbraham, Liam; Verma, Pragya; Truhlar, Donald G; Gagliardi, Laura; Ciofini, Ilaria

2017-05-04

The spin-state orderings in nine Fe(II) and Fe(III) complexes with ligands of diverse ligand-field strength were investigated with multiconfiguration pair-density functional theory (MC-PDFT). The performance of this method was compared to that of complete active space second-order perturbation theory (CASPT2) and Kohn-Sham density functional theory. We also investigated the dependence of CASPT2 and MC-PDFT results on the size of the active-space. MC-PDFT reproduces the CASPT2 spin-state ordering, the dependence on the ligand field strength, and the dependence on active space at a computational cost that is significantly reduced as compared to CASPT2.

Determination of intermediate perturbed orbits of Near-Earth asteroids from range and range rate measurements at three times

NASA Astrophysics Data System (ADS)

Shefer, V. A.

2014-12-01

Two methods that the author developed earlier for finding the intermediate perturbed orbit of a small celestial body from three pairs of range and range rate observations [1, 2] are applied to the determination of orbits of Near-Earth asteroids. The methods are based on using the superosculating orbits with three- and fourth-order tangency. The degrees of approximation of the real motion by the constructed intermediate orbits near the middle measurement time are two and three orders of magnitude higher than by the Keplerian orbit determined with the help of traditional methods. We calculated the orbits of the asteroids 99942 Apophis, 1566 Icarus, 4179 Toutatis, 2007 DN41 and 2012 DA14. For the sake of brevity, we call the method based on the orbit with third-order tangency as Algorithm A1 and the method based on the orbit with fourth-order tangency -- as Algorithm A2. The results of the calculations are compared with the results of the calculations by the version of the methods mentioned that allows us to construct the unperturbed Keplerian orbit. We call this version of the methods as Algorithm A. The observational data were simulated using the nominal trajectories of the selected asteroids. These trajectories were obtained by the numerical integration of the differential equations of motion subject to the perturbations from the eight major planets, Pluto, and the Moon. The integration was carried out with the help of the 15-order Everhart procedure [3]. The main results of the calculations are the following. When the reference time interval is shortened by half (for small sizes of this interval), the errors in the compared algorithms A, A1, A2 decrease approximately by the factors 4, 16, 64 in coordinates and by the factors 2, 8, 16 in velocities, respectively. Such behavior of the errors is most clearly seen with the asteroids 2007 DN41 and 2012 DA14. This leads to a significant increase in the accuracy of the real motion approximation by the intermediate orbits constructed using the A1 and A2 algorithms (2-4 orders of magnitude in coordinates and 4-7 orders of magnitude in velocities higher) compared to the accuracy of the approximation by Keplerian orbits with decreasing the reference arc of the trajectory. Here, the higher is the efficiency of the algorithms A1 and A2, the smaller are the values of the topocentric distances, i.e., the greater are the perturbations caused by the Earth's gravitation. The advantage of Algorithm A2 over Algorithm A1 in accuracy extends approximately one order of magnitude. The minimal methodic errors of the position vector by using the A1 and A2 algorithms range from several meters in the case of the asteroid Apophis to several millimeters in the case of the asteroid 2012 DA14. Hence, the numerical examples analyzed in this work lead us to conclude that the proposed in [1, 2] methods for determination of an intermediate perturbed orbit from range and range rate measurements at three time points allow for significantly raising the accuracy of the calculation of the initial asteroid orbits in comparison with the algorithm based on the finding the unperturbed Keplerian orbit. The shorter is the orbital arc specified by the extreme time points, the greater is the advantage of the algorithms suggested over the algorithms of the traditional approach in the accuracy. The advantage of the algorithms suggested in the accuracy increases with raising the perturbations too, which is especially important for calculation of the initial trajectories of the space objects detected in the Earth's neighbourhood. The work was supported by the Ministry of Education and Science of the Russian Federation, project no. 2014/223(1567).

An Efficient Algorithm for Perturbed Orbit Integration Combining Analytical Continuation and Modified Chebyshev Picard Iteration

NASA Astrophysics Data System (ADS)

Elgohary, T.; Kim, D.; Turner, J.; Junkins, J.

2014-09-01

Several methods exist for integrating the motion in high order gravity fields. Some recent methods use an approximate starting orbit, and an efficient method is needed for generating warm starts that account for specific low order gravity approximations. By introducing two scalar Lagrange-like invariants and employing Leibniz product rule, the perturbed motion is integrated by a novel recursive formulation. The Lagrange-like invariants allow exact arbitrary order time derivatives. Restricting attention to the perturbations due to the zonal harmonics J2 through J6, we illustrate an idea. The recursively generated vector-valued time derivatives for the trajectory are used to develop a continuation series-based solution for propagating position and velocity. Numerical comparisons indicate performance improvements of ~ 70X over existing explicit Runge-Kutta methods while maintaining mm accuracy for the orbit predictions. The Modified Chebyshev Picard Iteration (MCPI) is an iterative path approximation method to solve nonlinear ordinary differential equations. The MCPI utilizes Picard iteration with orthogonal Chebyshev polynomial basis functions to recursively update the states. The key advantages of the MCPI are as follows: 1) Large segments of a trajectory can be approximated by evaluating the forcing function at multiple nodes along the current approximation during each iteration. 2) It can readily handle general gravity perturbations as well as non-conservative forces. 3) Parallel applications are possible. The Picard sequence converges to the solution over large time intervals when the forces are continuous and differentiable. According to the accuracy of the starting solutions, however, the MCPI may require significant number of iterations and function evaluations compared to other integrators. In this work, we provide an efficient methodology to establish good starting solutions from the continuation series method; this warm start improves the performance of the MCPI significantly and will likely be useful for other applications where efficiently computed approximate orbit solutions are needed.

Efficient algorithms for analyzing the singularly perturbed boundary value problems of fractional order

NASA Astrophysics Data System (ADS)

Sayevand, K.; Pichaghchi, K.

2018-04-01

In this paper, we were concerned with the description of the singularly perturbed boundary value problems in the scope of fractional calculus. We should mention that, one of the main methods used to solve these problems in classical calculus is the so-called matched asymptotic expansion method. However we shall note that, this was not achievable via the existing classical definitions of fractional derivative, because they do not obey the chain rule which one of the key elements of the matched asymptotic expansion method. In order to accommodate this method to fractional derivative, we employ a relatively new derivative so-called the local fractional derivative. Using the properties of local fractional derivative, we extend the matched asymptotic expansion method to the scope of fractional calculus and introduce a reliable new algorithm to develop approximate solutions of the singularly perturbed boundary value problems of fractional order. In the new method, the original problem is partitioned into inner and outer solution equations. The reduced equation is solved with suitable boundary conditions which provide the terminal boundary conditions for the boundary layer correction. The inner solution problem is next solved as a solvable boundary value problem. The width of the boundary layer is approximated using appropriate resemblance function. Some theoretical results are established and proved. Some illustrating examples are solved and the results are compared with those of matched asymptotic expansion method and homotopy analysis method to demonstrate the accuracy and efficiency of the method. It can be observed that, the proposed method approximates the exact solution very well not only in the boundary layer, but also away from the layer.

Deriving Lindblad master equations with Keldysh diagrams: Correlated gain and loss in higher order perturbation theory

NASA Astrophysics Data System (ADS)

Müller, Clemens; Stace, Thomas M.

2017-01-01

Motivated by correlated decay processes producing gain, loss, and lasing in driven semiconductor quantum dots [Phys. Rev. Lett. 113, 036801 (2014), 10.1103/PhysRevLett.113.036801; Science 347, 285 (2015), 10.1126/science.aaa2501; Phys. Rev. Lett. 114, 196802 (2015), 10.1103/PhysRevLett.114.196802], we develop a theoretical technique by using Keldysh diagrammatic perturbation theory to derive a Lindblad master equation that goes beyond the usual second-order perturbation theory. We demonstrate the method on the driven dissipative Rabi model, including terms up to fourth order in the interaction between the qubit and both the resonator and environment. This results in a large class of Lindblad dissipators and associated rates which go beyond the terms that have previously been proposed to describe similar systems. All of the additional terms contribute to the system behavior at the same order of perturbation theory. We then apply these results to analyze the phonon-assisted steady-state gain of a microwave field driving a double quantum dot in a resonator. We show that resonator gain and loss are substantially affected by dephasing-assisted dissipative processes in the quantum-dot system. These additional processes, which go beyond recently proposed polaronic theories, are in good quantitative agreement with experimental observations.

Driven similarity renormalization group: Third-order multireference perturbation theory.

PubMed

Li, Chenyang; Evangelista, Francesco A

2017-03-28

A third-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT3) approach is presented. The DSRG-MRPT3 method has several appealing features: (a) it is intruder free, (b) it is size consistent, (c) it leads to a non-iterative algorithm with O(N 6 ) scaling, and (d) it includes reference relaxation effects. The DSRG-MRPT3 scheme is benchmarked on the potential energy curves of F 2 , H 2 O 2 , C 2 H 6 , and N 2 along the F-F, O-O, C-C, and N-N bond dissociation coordinates, respectively. The nonparallelism errors of DSRG-MRPT3 are consistent with those of complete active space third-order perturbation theory and multireference configuration interaction with singles and doubles and show significant improvements over those obtained from DSRG second-order multireference perturbation theory. Our efficient implementation of the DSRG-MRPT3 based on factorized electron repulsion integrals enables studies of medium-sized open-shell organic compounds. This point is demonstrated with computations of the singlet-triplet splitting (Δ ST =E T -E S ) of 9,10-anthracyne. At the DSRG-MRPT3 level of theory, our best estimate of the adiabatic Δ ST is 3.9 kcal mol -1 , a value that is within 0.1 kcal mol -1 from multireference coupled cluster results.

Final state interactions and the transverse structure of the pion using non-perturbative eikonal methods

DOE PAGES

Gamberg, Leonard; Schlegel, Marc

2010-01-18

In the factorized picture of semi-inclusive hadronic processes the naive time reversal-odd parton distributions exist by virtue of the gauge link which renders it color gauge invariant. The link characterizes the dynamical effect of initial/final-state interactions of the active parton due soft gluon exchanges with the target remnant. Though these interactions are non-perturbative, studies of final-state interaction have been approximated by perturbative one-gluon approximation in Abelian models. We include higher-order contributions by applying non-perturbative eikonal methods incorporating color degrees of freedom in a calculation of the Boer-Mulders function of the pion. Lastly, using this framework we explore under what conditionsmore » the Boer Mulders function can be described in terms of factorization of final state interactions and a spatial distribution in impact parameter space.« less

Applying dynamic Bayesian networks to perturbed gene expression data.

PubMed

Dojer, Norbert; Gambin, Anna; Mizera, Andrzej; Wilczyński, Bartek; Tiuryn, Jerzy

2006-05-08

A central goal of molecular biology is to understand the regulatory mechanisms of gene transcription and protein synthesis. Because of their solid basis in statistics, allowing to deal with the stochastic aspects of gene expressions and noisy measurements in a natural way, Bayesian networks appear attractive in the field of inferring gene interactions structure from microarray experiments data. However, the basic formalism has some disadvantages, e.g. it is sometimes hard to distinguish between the origin and the target of an interaction. Two kinds of microarray experiments yield data particularly rich in information regarding the direction of interactions: time series and perturbation experiments. In order to correctly handle them, the basic formalism must be modified. For example, dynamic Bayesian networks (DBN) apply to time series microarray data. To our knowledge the DBN technique has not been applied in the context of perturbation experiments. We extend the framework of dynamic Bayesian networks in order to incorporate perturbations. Moreover, an exact algorithm for inferring an optimal network is proposed and a discretization method specialized for time series data from perturbation experiments is introduced. We apply our procedure to realistic simulations data. The results are compared with those obtained by standard DBN learning techniques. Moreover, the advantages of using exact learning algorithm instead of heuristic methods are analyzed. We show that the quality of inferred networks dramatically improves when using data from perturbation experiments. We also conclude that the exact algorithm should be used when it is possible, i.e. when considered set of genes is small enough.

δ M formalism: a new approach to cosmological perturbation theory in anisotropic inflation

NASA Astrophysics Data System (ADS)

Talebian-Ashkezari, A.; Ahmadi, N.; Abolhasani, A. A.

2018-03-01

We study the evolution of the metric perturbations in a Bianchi background in the long-wavelength limit. By applying the gradient expansion to the equations of motion we exhibit a generalized "Separate Universe" approach to the cosmological perturbation theory. Having found this consistent separate universe picture, we introduce the δ M formalism for calculating the evolution of the linear tensor perturbations in anisotropic inflation models in almost the same way that the so-called δ N formula is applied to the super-horizon dynamics of the curvature perturbations. Similar to her twin formula, δ N, this new method can substantially reduce the amount of calculations related to the evolution of tensor modes. However, it is not as general as δ N it is a "perturbative" formula and solves the shear only to linear order. In other words, it is restricted to weak shear limit.

An automated integration-free path-integral method based on Kleinert's variational perturbation theory

NASA Astrophysics Data System (ADS)

Wong, Kin-Yiu; Gao, Jiali

2007-12-01

Based on Kleinert's variational perturbation (KP) theory [Path Integrals in Quantum Mechanics, Statistics, Polymer Physics, and Financial Markets, 3rd ed. (World Scientific, Singapore, 2004)], we present an analytic path-integral approach for computing the effective centroid potential. The approach enables the KP theory to be applied to any realistic systems beyond the first-order perturbation (i.e., the original Feynman-Kleinert [Phys. Rev. A 34, 5080 (1986)] variational method). Accurate values are obtained for several systems in which exact quantum results are known. Furthermore, the computed kinetic isotope effects for a series of proton transfer reactions, in which the potential energy surfaces are evaluated by density-functional theory, are in good accordance with experiments. We hope that our method could be used by non-path-integral experts or experimentalists as a "black box" for any given system.

Reliable prediction of three-body intermolecular interactions using dispersion-corrected second-order Møller-Plesset perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Yuanhang; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu

2015-07-28

Three-body and higher intermolecular interactions can play an important role in molecular condensed phases. Recent benchmark calculations found problematic behavior for many widely used density functional approximations in treating 3-body intermolecular interactions. Here, we demonstrate that the combination of second-order Møller-Plesset (MP2) perturbation theory plus short-range damped Axilrod-Teller-Muto (ATM) dispersion accurately describes 3-body interactions with reasonable computational cost. The empirical damping function used in the ATM dispersion term compensates both for the absence of higher-order dispersion contributions beyond the triple-dipole ATM term and non-additive short-range exchange terms which arise in third-order perturbation theory and beyond. Empirical damping enables this simplemore » model to out-perform a non-expanded coupled Kohn-Sham dispersion correction for 3-body intermolecular dispersion. The MP2 plus ATM dispersion model approaches the accuracy of O(N{sup 6}) methods like MP2.5 or even spin-component-scaled coupled cluster models for 3-body intermolecular interactions with only O(N{sup 5}) computational cost.« less

High-order perturbations of a spherical collapsing star

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brizuela, David; Martin-Garcia, Jose M.; Sperhake, Ulrich

2010-11-15

A formalism to deal with high-order perturbations of a general spherical background was developed in earlier work [D. Brizuela, J. M. Martin-Garcia, and G. A. Mena Marugan, Phys. Rev. D 74, 044039 (2006); D. Brizuela, J. M. Martin-Garcia, and G. A. Mena Marugan, Phys. Rev. D 76, 024004 (2007)]. In this paper, we apply it to the particular case of a perfect fluid background. We have expressed the perturbations of the energy-momentum tensor at any order in terms of the perturbed fluid's pressure, density, and velocity. In general, these expressions are not linear and have sources depending on lower-order perturbations.more » For the second-order case we make the explicit decomposition of these sources in tensor spherical harmonics. Then, a general procedure is given to evolve the perturbative equations of motions of the perfect fluid for any value of the harmonic label. Finally, with the problem of a spherical collapsing star in mind, we discuss the high-order perturbative matching conditions across a timelike surface, in particular, the surface separating the perfect fluid interior from the exterior vacuum.« less

Second order perturbations of a macroscopic string: Covariant approach

NASA Astrophysics Data System (ADS)

Larsen, A. L.; Nicolaidis, A.

2001-06-01

Using a world-sheet covariant formalism, we derive the equations of motion for second order perturbations of a generic macroscopic string, thus generalizing previous results for first order perturbations. We give the explicit results for the first and second order perturbations of a contracting near-circular string; these results are relevant for the understanding of the possible outcome when a cosmic string contracts under its own tension, as discussed in a series of papers by Vilenkin and Garriga. In particular, second order perturbations are necessary for a consistent computation of the energy. We also quantize the perturbations and derive the mass formula up to second order in perturbations for an observer using world-sheet time τ. The high frequency modes give the standard Minkowski result while, interestingly enough, the Hamiltonian turns out to be nondiagonal in oscillators for low-frequency modes. Using an alternative definition of the vacuum, it is possible to diagonalize the Hamiltonian, and the standard string mass spectrum appears for all frequencies. We finally discuss how our results are also relevant for the problems concerning string-spreading near a black hole horizon, as originally discussed by Susskind.

Adiabatic perturbation theory for atoms and molecules in the low-frequency regime

NASA Astrophysics Data System (ADS)

Martiskainen, Hanna; Moiseyev, Nimrod

2017-12-01

There is an increasing interest in the photoinduced dynamics in the low frequency, ω, regime. The multiphoton absorptions by molecules in strong laser fields depend on the polarization of the laser and on the molecular structure. The unique properties of the interaction of atoms and molecules with lasers in the low-frequency regime imply new concepts and directions in strong-field light-matter interactions. Here we represent a perturbational approach for the calculations of the quasi-energy spectrum in the low-frequency regime, which avoids the construction of the Floquet operator with extremely large number of Floquet channels. The zero-order Hamiltonian in our perturbational approach is the adiabatic Hamiltonian where the atoms/molecules are exposed to a dc electric field rather than to ac-field. This is in the spirit of the first step in the Corkum three-step model. The second-order perturbation correction terms are obtained when i ℏ ω ∂/∂ τ serves as a perturbation and τ is a dimensionless variable. The second-order adiabatic perturbation scheme is found to be an excellent approach for calculating the ac-field Floquet solutions in our test case studies of a simple one-dimensional time-periodic model Hamiltonian. It is straightforward to implement the perturbation approach presented here for calculating atomic and molecular energy shifts (positions) due to the interaction with low-frequency ac-fields using high-level electronic structure methods. This is enabled since standard quantum chemistry packages allow the calculations of atomic and molecular energy shifts due to the interaction with dc-fields. In addition to the shift of the energy positions, the energy widths (inverse lifetimes) can be obtained at the same level of theory. These energy shifts are functions of the laser parameters (low frequency, intensity, and polarization).

Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems

NASA Astrophysics Data System (ADS)

Bozkaya, Uǧur

2011-12-01

In this research, orbital-optimized third-order Møller-Plesset perturbation theory (OMP3) and its spin-component and spin-opposite scaled variants (SCS-OMP3 and SOS-OMP3) are introduced. Using a Lagrangian-based approach, an efficient, quadratically convergent algorithm for variational optimization of the molecular orbitals (MOs) for third-order Møller-Plesset perturbation theory (MP3) is presented. Explicit equations for response density matrices, the MO gradient, and Hessian are reported in spin-orbital form. The OMP3, SCS-OMP3, and SOS-OMP3 approaches are compared with the second-order Møller-Plesset perturbation theory (MP2), MP3, coupled-cluster doubles (CCD), optimized-doubles (OD), and coupled-cluster singles and doubles (CCSD) methods. All these methods are applied to the O4 +, O3, and seven diatomic molecules. Results demonstrate that the OMP3 and its variants provide significantly better vibrational frequencies than MP3, CCSD, and OD for the molecules where the symmetry-breaking problems are observed. For O4 +, the OMP3 prediction, 1343 cm-1, for ω6 (b3u) mode, where symmetry-breaking appears, is even better than presumably more reliable methods such as Brueckner doubles (BD), 1194 cm-1, and OD, 1193 cm-1, methods (the experimental value is 1320 cm-1). For O3, the predictions of SCS-OMP3 (1143 cm-1) and SOS-OMP3 (1165 cm-1) are remarkably better than the more robust OD method (1282 cm-1); the experimental value is 1089 cm-1. For the seven diatomics, again the SCS-OMP3 and SOS-OMP3 methods provide the lowest average errors, |Δωe| = 44 and |Δωe| = 35 cm-1, respectively, while for OD, |Δωe| = 161 cm-1and CCSD |Δωe| = 106 cm-1. Hence, the OMP3 and especially its spin-scaled variants perform much better than the MP3, CCSD, and more robust OD approaches for considered test cases. Therefore, considering both the computational cost and the reliability, SCS-OMP3 and SOS-OMP3 appear to be the best methods for the symmetry-breaking cases, based on present application results. The OMP3 method offers certain advantages: it provides reliable vibrational frequencies in case of symmetry-breaking problems, especially with spin-scaling tricks, its analytic gradients are easier to compute since there is no need to solve the coupled-perturbed equations for the orbital response, and the computation of one-electron properties are easier because there is no response contribution to the particle density matrices. The OMP3 has further advantages over standard MP3, making it promising for excited state properties via linear response theory.

Scalar field coupling to Einstein tensor in regular black hole spacetime

NASA Astrophysics Data System (ADS)

Zhang, Chi; Wu, Chen

2018-02-01

In this paper, we study the perturbation property of a scalar field coupling to Einstein's tensor in the background of the regular black hole spacetimes. Our calculations show that the the coupling constant η imprints in the wave equation of a scalar perturbation. We calculated the quasinormal modes of scalar field coupling to Einstein's tensor in the regular black hole spacetimes by the 3rd order WKB method.

The multi-reference retaining the excitation degree perturbation theory: A size-consistent, unitary invariant, and rapidly convergent wavefunction based ab initio approach

NASA Astrophysics Data System (ADS)

Fink, Reinhold F.

2009-02-01

The retaining the excitation degree (RE) partitioning [R.F. Fink, Chem. Phys. Lett. 428 (2006) 461(20 September)] is reformulated and applied to multi-reference cases with complete active space (CAS) reference wave functions. The generalised van Vleck perturbation theory is employed to set up the perturbation equations. It is demonstrated that this leads to a consistent and well defined theory which fulfils all important criteria of a generally applicable ab initio method: The theory is proven numerically and analytically to be size-consistent and invariant with respect to unitary orbital transformations within the inactive, active and virtual orbital spaces. In contrast to most previously proposed multi-reference perturbation theories the necessary condition for a proper perturbation theory to fulfil the zeroth order perturbation equation is exactly satisfied with the RE partitioning itself without additional projectors on configurational spaces. The theory is applied to several excited states of the benchmark systems CH2 , SiH2 , and NH2 , as well as to the lowest states of the carbon, nitrogen and oxygen atoms. In all cases comparisons are made with full configuration interaction results. The multi-reference (MR)-RE method is shown to provide very rapidly converging perturbation series. Energy differences between states of similar configurations converge even faster.

Regularization of the Perturbed Spatial Restricted Three-Body Problem by L-Transformations

NASA Astrophysics Data System (ADS)

Poleshchikov, S. M.

2018-03-01

Equations of motion for the perturbed circular restricted three-body problem have been regularized in canonical variables in a moving coordinate system. Two different L-matrices of the fourth order are used in the regularization. Conditions for generalized symplecticity of the constructed transform have been checked. In the unperturbed case, the regular equations have a polynomial structure. The regular equations have been numerically integrated using the Runge-Kutta-Fehlberg method. The results of numerical experiments are given for the Earth-Moon system parameters taking into account the perturbation of the Sun for different L-matrices.

Perturbation method for the second-order nonlinear effect of focused acoustic field around a scatterer in an ideal fluid.

PubMed

Liu, Gang; Jayathilake, Pahala Gedara; Khoo, Boo Cheong

2014-02-01

Two nonlinear models are proposed to investigate the focused acoustic waves that the nonlinear effects will be important inside the liquid around the scatterer. Firstly, the one dimensional solutions for the widely used Westervelt equation with different coordinates are obtained based on the perturbation method with the second order nonlinear terms. Then, by introducing the small parameter (Mach number), a dimensionless formulation and asymptotic perturbation expansion via the compressible potential flow theory is applied. This model permits the decoupling between the velocity potential and enthalpy to second order, with the first potential solutions satisfying the linear wave equation (Helmholtz equation), whereas the second order solutions are associated with the linear non-homogeneous equation. Based on the model, the local nonlinear effects of focused acoustic waves on certain volume are studied in which the findings may have important implications for bubble cavitation/initiation via focused ultrasound called HIFU (High Intensity Focused Ultrasound). The calculated results show that for the domain encompassing less than ten times the radius away from the center of the scatterer, the non-linear effect exerts a significant influence on the focused high intensity acoustic wave. Moreover, at the comparatively higher frequencies, for the model of spherical wave, a lower Mach number may result in stronger nonlinear effects. Copyright © 2013 Elsevier B.V. All rights reserved.

Staggered heavy baryon chiral perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bailey, Jon A.

2008-03-01

Although taste violations significantly affect the results of staggered calculations of pseudoscalar and heavy-light mesonic quantities, those entering staggered calculations of baryonic quantities have not been quantified. Here I develop staggered chiral perturbation theory in the light-quark baryon sector by mapping the Symanzik action into heavy baryon chiral perturbation theory. For 2+1 dynamical quark flavors, the masses of flavor-symmetric nucleons are calculated to third order in partially quenched and fully dynamical staggered chiral perturbation theory. To this order the expansion includes the leading chiral logarithms, which come from loops with virtual decuplet-like states, as well as terms of O(m{sub {pi}}{supmore » 3}), which come from loops with virtual octet-like states. Taste violations enter through the meson propagators in loops and tree-level terms of O(a{sup 2}). The pattern of taste symmetry breaking and the resulting degeneracies and mixings are discussed in detail. The resulting chiral forms are appropriate to lattice results obtained with operators already in use and could be used to study the restoration of taste symmetry in the continuum limit. I assume that the fourth root of the fermion determinant can be incorporated in staggered chiral perturbation theory using the replica method.« less

Gravitoelectromagnetic perturbations of Kerr-Newman black holes: stability and isospectrality in the slow-rotation limit.

PubMed

Pani, Paolo; Berti, Emanuele; Gualtieri, Leonardo

2013-06-14

The most general stationary black-hole solution of Einstein-Maxwell theory in vacuum is the Kerr-Newman metric, specified by three parameters: mass M, spin J, and charge Q. Within classical general relativity, one of the most important and challenging open problems in black-hole perturbation theory is the study of gravitational and electromagnetic fields in the Kerr-Newman geometry, because of the indissoluble coupling of the perturbation functions. Here we circumvent this long-standing problem by working in the slow-rotation limit. We compute the quasinormal modes up to linear order in J for any value of Q and provide the first, fully consistent stability analysis of the Kerr-Newman metric. For scalar perturbations the quasinormal modes can be computed exactly, and we demonstrate that the method is accurate within 3% for spins J/J(max) ≲ 0.5, where J(max) is the maximum allowed spin for any value of Q. Quite remarkably, we find numerical evidence that the axial and polar sectors of the gravitoelectromagnetic perturbations are isospectral to linear order in the spin. The extension of our results to nonasymptotically flat space-times could be useful in the context of gauge-gravity dualities and string theory.

Subtraction method of computing QCD jet cross sections at NNLO accuracy

NASA Astrophysics Data System (ADS)

Trócsányi, Zoltán; Somogyi, Gábor

2008-10-01

We present a general subtraction method for computing radiative corrections to QCD jet cross sections at next-to-next-to-leading order accuracy. The steps needed to set up this subtraction scheme are the same as those used in next-to-leading order computations. However, all steps need non-trivial modifications, which we implement such that that those can be defined at any order in perturbation theory. We give a status report of the implementation of the method to computing jet cross sections in electron-positron annihilation at the next-to-next-to-leading order accuracy.

CMB spectral distortions as solutions to the Boltzmann equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ota, Atsuhisa, E-mail: a.ota@th.phys.titech.ac.jp

2017-01-01

We propose to re-interpret the cosmic microwave background spectral distortions as solutions to the Boltzmann equation. This approach makes it possible to solve the second order Boltzmann equation explicitly, with the spectral y distortion and the momentum independent second order temperature perturbation, while generation of μ distortion cannot be explained even at second order in this framework. We also extend our method to higher order Boltzmann equations systematically and find new type spectral distortions, assuming that the collision term is linear in the photon distribution functions, namely, in the Thomson scattering limit. As an example, we concretely construct solutions tomore » the cubic order Boltzmann equation and show that the equations are closed with additional three parameters composed of a cubic order temperature perturbation and two cubic order spectral distortions. The linear Sunyaev-Zel'dovich effect whose momentum dependence is different from the usual y distortion is also discussed in the presence of the next leading order Kompaneets terms, and we show that higher order spectral distortions are also generated as a result of the diffusion process in a framework of higher order Boltzmann equations. The method may be applicable to a wider class of problems and has potential to give a general prescription to non-equilibrium physics.« less

Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fukuda, Ryoichi, E-mail: fukuda@ims.ac.jp; Ehara, Masahiro; Elements Strategy Initiative for Catalysts and Batteries

A perturbative approximation of the state specific polarizable continuum model (PCM) symmetry-adapted cluster-configuration interaction (SAC-CI) method is proposed for efficient calculations of the electronic excitations and absorption spectra of molecules in solutions. This first-order PCM SAC-CI method considers the solvent effects on the energies of excited states up to the first-order with using the zeroth-order wavefunctions. This method can avoid the costly iterative procedure of the self-consistent reaction field calculations. The first-order PCM SAC-CI calculations well reproduce the results obtained by the iterative method for various types of excitations of molecules in polar and nonpolar solvents. The first-order contribution ismore » significant for the excitation energies. The results obtained by the zeroth-order PCM SAC-CI, which considers the fixed ground-state reaction field for the excited-state calculations, are deviated from the results by the iterative method about 0.1 eV, and the zeroth-order PCM SAC-CI cannot predict even the direction of solvent shifts in n-hexane for many cases. The first-order PCM SAC-CI is applied to studying the solvatochromisms of (2,2{sup ′}-bipyridine)tetracarbonyltungsten [W(CO){sub 4}(bpy), bpy = 2,2{sup ′}-bipyridine] and bis(pentacarbonyltungsten)pyrazine [(OC){sub 5}W(pyz)W(CO){sub 5}, pyz = pyrazine]. The SAC-CI calculations reveal the detailed character of the excited states and the mechanisms of solvent shifts. The energies of metal to ligand charge transfer states are significantly sensitive to solvents. The first-order PCM SAC-CI well reproduces the observed absorption spectra of the tungsten carbonyl complexes in several solvents.« less

On the reach of perturbative methods for dark matter density fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baldauf, Tobias; Zaldarriaga, Matias; Schaan, Emmanuel, E-mail: baldauf@ias.edu, E-mail: eschaan@astro.princeton.edu, E-mail: matiasz@ias.edu

We study the mapping from Lagrangian to Eulerian space in the context of the Effective Field Theory (EFT) of Large Scale Structure. We compute Lagrangian displacements with Lagrangian Perturbation Theory (LPT) and perform the full non-perturbative transformation from displacement to density. When expanded up to a given order, this transformation reproduces the standard Eulerian Perturbation Theory (SPT) at the same order. However, the full transformation from displacement to density also includes higher order terms. These terms explicitly resum long wavelength motions, thus making the resulting density field better correlated with the true non-linear density field. As a result, the regimemore » of validity of this approach is expected to extend that of the Eulerian EFT, and match that of the IR-resummed Eulerian EFT. This approach thus effectively enables a test of the IR-resummed EFT at the field level. We estimate the size of stochastic, non-perturbative contributions to the matter density power spectrum. We find that in our highest order calculation, at redshift z = 0 the power spectrum of the density field is reproduced with an accuracy of 1% (10%) up to k = 0.25 hMpc{sup −1} (k = 0.46 hMpc{sup −1}). We believe that the dominant source of the remaining error is the stochastic contribution. Unfortunately, on these scales the stochastic term does not yet scale as k{sup 4} as it does in the very low k regime. Thus, modeling this contribution might be challenging.« less

Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

NASA Astrophysics Data System (ADS)

Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

2018-06-01

A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

Singular perturbations and time scales in the design of digital flight control systems

NASA Technical Reports Server (NTRS)

Naidu, Desineni S.; Price, Douglas B.

1988-01-01

The results are presented of application of the methodology of Singular Perturbations and Time Scales (SPATS) to the control of digital flight systems. A block diagonalization method is described to decouple a full order, two time (slow and fast) scale, discrete control system into reduced order slow and fast subsystems. Basic properties and numerical aspects of the method are discussed. A composite, closed-loop, suboptimal control system is constructed as the sum of the slow and fast optimal feedback controls. The application of this technique to an aircraft model shows close agreement between the exact solutions and the decoupled (or composite) solutions. The main advantage of the method is the considerable reduction in the overall computational requirements for the evaluation of optimal guidance and control laws. The significance of the results is that it can be used for real time, onboard simulation. A brief survey is also presented of digital flight systems.

A high-order perturbation of surfaces method for scattering of linear waves by periodic multiply layered gratings in two and three dimensions

NASA Astrophysics Data System (ADS)

Hong, Youngjoon; Nicholls, David P.

2017-09-01

The capability to rapidly and robustly simulate the scattering of linear waves by periodic, multiply layered media in two and three dimensions is crucial in many engineering applications. In this regard, we present a High-Order Perturbation of Surfaces method for linear wave scattering in a multiply layered periodic medium to find an accurate numerical solution of the governing Helmholtz equations. For this we truncate the bi-infinite computational domain to a finite one with artificial boundaries, above and below the structure, and enforce transparent boundary conditions there via Dirichlet-Neumann Operators. This is followed by a Transformed Field Expansion resulting in a Fourier collocation, Legendre-Galerkin, Taylor series method for solving the problem in a transformed set of coordinates. Assorted numerical simulations display the spectral convergence of the proposed algorithm.

Analysis of a renormalization group method and normal form theory for perturbed ordinary differential equations

NASA Astrophysics Data System (ADS)

DeVille, R. E. Lee; Harkin, Anthony; Holzer, Matt; Josić, Krešimir; Kaper, Tasso J.

2008-06-01

For singular perturbation problems, the renormalization group (RG) method of Chen, Goldenfeld, and Oono [Phys. Rev. E. 49 (1994) 4502-4511] has been shown to be an effective general approach for deriving reduced or amplitude equations that govern the long time dynamics of the system. It has been applied to a variety of problems traditionally analyzed using disparate methods, including the method of multiple scales, boundary layer theory, the WKBJ method, the Poincaré-Lindstedt method, the method of averaging, and others. In this article, we show how the RG method may be used to generate normal forms for large classes of ordinary differential equations. First, we apply the RG method to systems with autonomous perturbations, and we show that the reduced or amplitude equations generated by the RG method are equivalent to the classical Poincaré-Birkhoff normal forms for these systems up to and including terms of O(ɛ2), where ɛ is the perturbation parameter. This analysis establishes our approach and generalizes to higher order. Second, we apply the RG method to systems with nonautonomous perturbations, and we show that the reduced or amplitude equations so generated constitute time-asymptotic normal forms, which are based on KBM averages. Moreover, for both classes of problems, we show that the main coordinate changes are equivalent, up to translations between the spaces in which they are defined. In this manner, our results show that the RG method offers a new approach for deriving normal forms for nonautonomous systems, and it offers advantages since one can typically more readily identify resonant terms from naive perturbation expansions than from the nonautonomous vector fields themselves. Finally, we establish how well the solution to the RG equations approximates the solution of the original equations on time scales of O(1/ɛ).

Laplace transform homotopy perturbation method for the approximation of variational problems.

PubMed

Filobello-Nino, U; Vazquez-Leal, H; Rashidi, M M; Sedighi, H M; Perez-Sesma, A; Sandoval-Hernandez, M; Sarmiento-Reyes, A; Contreras-Hernandez, A D; Pereyra-Diaz, D; Hoyos-Reyes, C; Jimenez-Fernandez, V M; Huerta-Chua, J; Castro-Gonzalez, F; Laguna-Camacho, J R

2016-01-01

This article proposes the application of Laplace Transform-Homotopy Perturbation Method and some of its modifications in order to find analytical approximate solutions for the linear and nonlinear differential equations which arise from some variational problems. As case study we will solve four ordinary differential equations, and we will show that the proposed solutions have good accuracy, even we will obtain an exact solution. In the sequel, we will see that the square residual error for the approximate solutions, belongs to the interval [0.001918936920, 0.06334882582], which confirms the accuracy of the proposed methods, taking into account the complexity and difficulty of variational problems.

Knowledge of damage identification about tensegrities via flexibility disassembly

NASA Astrophysics Data System (ADS)

Jiang, Ge; Feng, Xiaodong; Du, Shigui

2017-12-01

Tensegrity structures composing of continuous cables and discrete struts are under tension and compression, respectively. In order to determine the damage extents of tensegrity structures, a new method for tensegrity structural damage identification is presented based on flexibility disassembly. To decompose a tensegrity structural flexibility matrix into the matrix represention of the connectivity between degress-of-freedoms and the diagonal matrix comprising of magnitude informations. Step 1: Calculate perturbation flexibility; Step 2: Compute the flexibility connectivity matrix and perturbation flexibility parameters; Step 3: Calculate the perturbation stiffness parameters. The efficiency of the proposed method is demonstrated by a numeical example comprising of 12 cables and 4 struts with pretensioned. Accurate identification of local damage depends on the availability of good measured data, an accurate and reasonable algorithm.

Photonic Crystals from Order to Disorder: Perturbative Methods in Nanophotonics

ScienceCinema

Johnson, Steven G. [MIT, Cambridge, Massachusetts, United States

2017-12-09

Photonic crystals are periodic dielectric structures in which light can behave much differently than in a homogeneous medium. This talk gives an overview of some of the interesting properties and applications of these media, from switching in subwavelength microcavities to slow-light devices, to guiding light in air. However, some of the most interesting and challenging problems occur when the periodicity is disturbed, either by design or by inevitable fabrication imperfections. The talk focuses especially on small perturbations that have important effects, from slow-light tapers to surface roughness disorder, and will show that many classic perturbative approaches must be rethought for high-contrast nanophotonics. The combination of strong periodicity with large field discontinuities at interfaces causes standard methods to fail, but succumbs to new generalizations, while some problems remain open.

Applications of Cosmological Perturbation Theory

NASA Astrophysics Data System (ADS)

Christopherson, Adam J.

2011-06-01

Cosmological perturbation theory is crucial for our understanding of the universe. The linear theory has been well understood for some time, however developing and applying the theory beyond linear order is currently at the forefront of research in theoretical cosmology. This thesis studies the applications of perturbation theory to cosmology and, specifically, to the early universe. Starting with some background material introducing the well-tested 'standard model' of cosmology, we move on to develop the formalism for perturbation theory up to second order giving evolution equations for all types of scalar, vector and tensor perturbations, both in gauge dependent and gauge invariant form. We then move on to the main result of the thesis, showing that, at second order in perturbation theory, vorticity is sourced by a coupling term quadratic in energy density and entropy perturbations. This source term implies a qualitative difference to linear order. Thus, while at linear order vorticity decays with the expansion of the universe, the same is not true at higher orders. This will have important implications on future measurements of the polarisation of the Cosmic Microwave Background, and could give rise to the generation of a primordial seed magnetic field. Having derived this qualitative result, we then estimate the scale dependence and magnitude of the vorticity power spectrum, finding, for simple power law inputs a small, blue spectrum. The final part of this thesis concerns higher order perturbation theory, deriving, for the first time, the metric tensor, gauge transformation rules and governing equations for fully general third order perturbations. We close with a discussion of natural extensions to this work and other possible ideas for off-shooting projects in this continually growing field.

A method to simulate motor control strategies to recover from perturbations: application to a stumble recovery during gait.

PubMed

Forner-Cordero, Arturo; Ackermann, Marko; de Lima Freitas, Mateus

2011-01-01

Perturbations during human gait such as a trip or a slip can result in a fall, especially among frail populations such as the elderly. In order to recover from a trip or a stumble during gait, humans perform different types of recovery strategies. It is very useful to uncover the mechanisms of the recovery to improve training methods for populations at risk of falling. Moreover, human recovery strategies could be applied to implement controllers for bipedal robot walker, as an application of biomimetic design. A biomechanical model of the response to a trip during gait might uncover the control mechanisms underlying the different recovery strategies and the adaptation of the responses found during the execution of successive perturbation trials. This paper introduces a model of stumble in the multibody system framework. This model is used to assess different feedforward strategies to recover from a trip. First of all, normal gait patterns for the musculoskeletal system model are obtained by solving an optimal control problem. Secondly, the reference gait is perturbed by the application of forces on the swinging foot in different ways: as an instantaneous inelastic collision of the foot with an obstacle, as an impulsive horizontal force or using a force curve measured experimentally during gait perturbation experiments. The influence of the type of perturbation, the timing of the collision with respect to the gait cycle, as well as of the coefficient of restitution was investigated previously. Finally, in order to test the effects of different muscle excitation levels on the initial phases of the recovery response, several muscle excitations were added to selected muscles of the legs, thus providing a simulation of the recovery reactions. These results pave the way for future analysis and modeling of the control mechanisms of gait.

Limit cycles via higher order perturbations for some piecewise differential systems

NASA Astrophysics Data System (ADS)

Buzzi, Claudio A.; Lima, Maurício Firmino Silva; Torregrosa, Joan

2018-05-01

A classical perturbation problem is the polynomial perturbation of the harmonic oscillator, (x‧ ,y‧) =(- y + εf(x , y , ε) , x + εg(x , y , ε)) . In this paper we study the limit cycles that bifurcate from the period annulus via piecewise polynomial perturbations in two zones separated by a straight line. We prove that, for polynomial perturbations of degree n , no more than Nn - 1 limit cycles appear up to a study of order N. We also show that this upper bound is reached for orders one and two. Moreover, we study this problem in some classes of piecewise Liénard differential systems providing better upper bounds for higher order perturbation in ε, showing also when they are reached. The Poincaré-Pontryagin-Melnikov theory is the main technique used to prove all the results.

Robust control with structured perturbations

NASA Technical Reports Server (NTRS)

Keel, Leehyun

1988-01-01

Two important problems in the area of control systems design and analysis are discussed. The first is the robust stability using characteristic polynomial, which is treated first in characteristic polynomial coefficient space with respect to perturbations in the coefficients of the characteristic polynomial, and then for a control system containing perturbed parameters in the transfer function description of the plant. In coefficient space, a simple expression is first given for the l(sup 2) stability margin for both monic and non-monic cases. Following this, a method is extended to reveal much larger stability region. This result has been extended to the parameter space so that one can determine the stability margin, in terms of ranges of parameter variations, of the closed loop system when the nominal stabilizing controller is given. The stability margin can be enlarged by a choice of better stabilizing controller. The second problem describes the lower order stabilization problem, the motivation of the problem is as follows. Even though the wide range of stabilizing controller design methodologies is available in both the state space and transfer function domains, all of these methods produce unnecessarily high order controllers. In practice, the stabilization is only one of many requirements to be satisfied. Therefore, if the order of a stabilizing controller is excessively high, one can normally expect to have a even higher order controller on the completion of design such as inclusion of dynamic response requirements, etc. Therefore, it is reasonable to have a lowest possible order stabilizing controller first and then adjust the controller to meet additional requirements. The algorithm for designing a lower order stabilizing controller is given. The algorithm does not necessarily produce the minimum order controller; however, the algorithm is theoretically logical and some simulation results show that the algorithm works in general.

Nonlinear phenomena in general relativity

NASA Astrophysics Data System (ADS)

Allahyari, Alireza; Firouzjaee, Javad T.; Mansouri, Reza

2018-04-01

The perturbation theory plays an important role in studying structure formation in cosmology and post-Newtonian physics, but not all phenomena can be described by the linear perturbation theory. Thus, it is necessary to study exact solutions or higher-order perturbations. Specifically, we study black hole (apparent) horizons and the cosmological event horizon formation in the perturbation theory. We emphasize that in the perturbative regime of the gravitational potential these horizons cannot form in the lower order. Studying the infinite plane metric, we show that, to capture the cosmological constant effect, we need at least a second-order expansion.

Nanosecond-pulse-controlled higher-order sideband comb in a GaAs optomechanical disk resonator in the non-perturbative regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiong, Hao, E-mail: haoxiong1217@gmail.com; Si, Liu-Gang, E-mail: siliugang@gmail.com; Lü, Xin-You

2014-10-15

We propose an interesting scheme for tunable high-order sideband comb generation by utilizing ultrastrong optomechanical interaction in a GaAs optomechanical disk resonator beyond the perturbative approximation. We analyze the nonlinear nature of the optomechanical interaction, and give a full description of the non-perturbative effects. It is shown, within the non-perturbative regime, that high-order sideband comb with large intensities can be realized and controlled in a GaAs optomechanical disk resonator with experimentally achievable system parameters, and the non-perturbative regime leads to rich and nontrivial behavior.

Relativistic calculation of correlational energy for a helium-like atom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Palchikov, V.G.

This paper presents an analytical method for calculating the firstorder correlational energy from the electron interaction, taking account of lag effects. Explicit analytical expressions are obtained for radial matrix elements. The nonrelativistic limit is investigated. The given method may be used to calculate correlation effects in higher orders of perturbation theory (second and higher orders with respect to 1/z) using the Strum expansion for the Coulomb Green's functions.

Investigation of the Wave Propagation of Vector Modes of Light in a Spherically Symmetric Refractive Index Profile

NASA Astrophysics Data System (ADS)

Pozderac, Preston; Leary, Cody

We investigated the solutions to the Helmholtz equation in the case of a spherically symmetric refractive index using three different methods. The first method involves solving the Helmholtz equation for a step index profile and applying further constraints contained in Maxwell's equations. Utilizing these equations, we can simultaneously solve for the electric and magnetic fields as well as the allowed energies of photons propagating in this system. The second method applies a perturbative correction to these energies, which surfaces when deriving a Helmholtz type equation in a medium with an inhomogeneous refractive index. Applying first order perturbation theory, we examine how the correction term affects the energy of the photon. In the third method, we investigate the effects of the above perturbation upon solutions to the scalar Helmholtz equation, which are separable with respect to its polarization and spatial degrees of freedom. This work provides insights into the vector field structure of a photon guided by a glass microsphere.

Analytic-continuation approach to the resummation of divergent series in Rayleigh-Schrödinger perturbation theory

NASA Astrophysics Data System (ADS)

Mihálka, Zsuzsanna É.; Surján, Péter R.

2017-12-01

The method of analytic continuation is applied to estimate eigenvalues of linear operators from finite order results of perturbation theory even in cases when the latter is divergent. Given a finite number of terms E(k ),k =1 ,2 ,⋯M resulting from a Rayleigh-Schrödinger perturbation calculation, scaling these numbers by μk (μ being the perturbation parameter) we form the sum E (μ ) =∑kμkE(k ) for small μ values for which the finite series is convergent to a certain numerical accuracy. Extrapolating the function E (μ ) to μ =1 yields an estimation of the exact solution of the problem. For divergent series, this procedure may serve as resummation tool provided the perturbation problem has a nonzero radius of convergence. As illustrations, we treat the anharmonic (quartic) oscillator and an example from the many-electron correlation problem.

Evolution of almost circular orbits of satellites under the action of noncentral gravitational field of the Earth and lunisolar perturbations

NASA Astrophysics Data System (ADS)

Dulliev, A. M.

2011-02-01

Based on the results of paper [1] by G.V. Mozhaev, joint perturbations produced by nonsphericity of the Earth and by attraction of the Moon and the Sun are investigated using the method of averaging. Arbitrary number of spherical harmonics was taken into account in the force function of the Earth’s gravitational filed, and only the principal term was retained in the perturbing function of the Sun. In the perturbing function of the Moon two parallactic terms were considered in addition to the dominant term. The flight altitude was chosen in such a way that perturbations produced by the Sun and Moon would have the second order of smallness relative to the polar oblateness of the Earth. As a result, the formulas for calculation of satellite coordinates are derived that give a high precision on long time intervals.

Two-body perturbation theory versus first order perturbation theory: A comparison based on the square-well fluid.

PubMed

Mercier Franco, Luís Fernando; Castier, Marcelo; Economou, Ioannis G

2017-12-07

We show that the Zwanzig first-order perturbation theory can be obtained directly from a truncated Taylor series expansion of a two-body perturbation theory and that such truncation provides a more accurate prediction of thermodynamic properties than the full two-body perturbation theory. This unexpected result is explained by the quality of the resulting approximation for the fluid radial distribution function. We prove that the first-order and the two-body perturbation theories are based on different approximations for the fluid radial distribution function. To illustrate the calculations, the square-well fluid is adopted. We develop an analytical expression for the two-body perturbed Helmholtz free energy for the square-well fluid. The equation of state obtained using such an expression is compared to the equation of state obtained from the first-order approximation. The vapor-liquid coexistence curve and the supercritical compressibility factor of a square-well fluid are calculated using both equations of state and compared to Monte Carlo simulation data. Finally, we show that the approximation for the fluid radial distribution function given by the first-order perturbation theory provides closer values to the ones calculated via Monte Carlo simulations. This explains why such theory gives a better description of the fluid thermodynamic behavior.

Testing higher-order Lagrangian perturbation theory against numerical simulation. 1: Pancake models

NASA Technical Reports Server (NTRS)

Buchert, T.; Melott, A. L.; Weiss, A. G.

1993-01-01

We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of quasi-linear scales. The Lagrangian theory of gravitational instability of an Einstein-de Sitter dust cosmogony investigated and solved up to the third order is compared with numerical simulations. In this paper we study the dynamics of pancake models as a first step. In previous work the accuracy of several analytical approximations for the modeling of large-scale structure in the mildly non-linear regime was analyzed in the same way, allowing for direct comparison of the accuracy of various approximations. In particular, the Zel'dovich approximation (hereafter ZA) as a subclass of the first-order Lagrangian perturbation solutions was found to provide an excellent approximation to the density field in the mildly non-linear regime (i.e. up to a linear r.m.s. density contrast of sigma is approximately 2). The performance of ZA in hierarchical clustering models can be greatly improved by truncating the initial power spectrum (smoothing the initial data). We here explore whether this approximation can be further improved with higher-order corrections in the displacement mapping from homogeneity. We study a single pancake model (truncated power-spectrum with power-spectrum with power-index n = -1) using cross-correlation statistics employed in previous work. We found that for all statistical methods used the higher-order corrections improve the results obtained for the first-order solution up to the stage when sigma (linear theory) is approximately 1. While this improvement can be seen for all spatial scales, later stages retain this feature only above a certain scale which is increasing with time. However, third-order is not much improvement over second-order at any stage. The total breakdown of the perturbation approach is observed at the stage, where sigma (linear theory) is approximately 2, which corresponds to the onset of hierarchical clustering. This success is found at a considerable higher non-linearity than is usual for perturbation theory. Whether a truncation of the initial power-spectrum in hierarchical models retains this improvement will be analyzed in a forthcoming work.

Nuclear electromagnetic charge and current operators in Chiral EFT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Girlanda, Luca; Marcucci, Laura Elisa; Pastore, Saori

2013-08-01

We describe our method for deriving the nuclear electromagnetic charge and current operators in chiral perturbation theory, based on time-ordered perturbation theory. We then discuss possible strategies for fixing the relevant low-energy constants, from the magnetic moments of the deuteron and of the trinucleons, and from the radiative np capture cross sections, and identify a scheme which, partly relying on {Delta} resonance saturation, leads to a reasonable pattern of convergence of the chiral expansion.

Asymptotic theory of a slender rotating beam with end masses.

NASA Technical Reports Server (NTRS)

Whitman, A. M.; Abel, J. M.

1972-01-01

The method of matched asymptotic expansions is employed to solve the singular perturbation problem of the vibrations of a rotating beam of small flexural rigidity with concentrated end masses. The problem is complicated by the appearance of the eigenvalue in the boundary conditions. Eigenfunctions and eigenvalues are developed as power series in the perturbation parameter beta to the 1/2 power, and results are given for mode shapes and eigenvalues through terms of the order of beta.

Recursive linearization of multibody dynamics equations of motion

NASA Technical Reports Server (NTRS)

Lin, Tsung-Chieh; Yae, K. Harold

1989-01-01

The equations of motion of a multibody system are nonlinear in nature, and thus pose a difficult problem in linear control design. One approach is to have a first-order approximation through the numerical perturbations at a given configuration, and to design a control law based on the linearized model. Here, a linearized model is generated analytically by following the footsteps of the recursive derivation of the equations of motion. The equations of motion are first written in a Newton-Euler form, which is systematic and easy to construct; then, they are transformed into a relative coordinate representation, which is more efficient in computation. A new computational method for linearization is obtained by applying a series of first-order analytical approximations to the recursive kinematic relationships. The method has proved to be computationally more efficient because of its recursive nature. It has also turned out to be more accurate because of the fact that analytical perturbation circumvents numerical differentiation and other associated numerical operations that may accumulate computational error, thus requiring only analytical operations of matrices and vectors. The power of the proposed linearization algorithm is demonstrated, in comparison to a numerical perturbation method, with a two-link manipulator and a seven degrees of freedom robotic manipulator. Its application to control design is also demonstrated.

fNL‑gNL mixing in the matter density field at higher orders

NASA Astrophysics Data System (ADS)

Gressel, Hedda A.; Bruni, Marco

2018-06-01

In this paper we examine how primordial non-Gaussianity contributes to nonlinear perturbative orders in the expansion of the density field at large scales in the matter dominated era. General Relativity is an intrinsically nonlinear theory, establishing a nonlinear relation between the metric and the density field. Representing the metric perturbations with the curvature perturbation ζ, it is known that nonlinearity produces effective non-Gaussian terms in the nonlinear perturbations of the matter density field δ, even if the primordial ζ is Gaussian. Here we generalise these results to the case of a non-Gaussian primordial ζ. Using a standard parametrization of primordial non-Gaussianity in ζ in terms of fNL, gNL, hNL\\ldots , we show how at higher order (from third and higher) nonlinearity also produces a mixing of these contributions to the density field at large scales, e.g. both fNL and gNL contribute to the third order in δ. This is the main result of this paper. Our analysis is based on the synergy between a gradient expansion (aka long-wavelength approximation) and standard perturbation theory at higher order. In essence, mathematically the equations for the gradient expansion are equivalent to those of first order perturbation theory, thus first-order results convert into gradient expansion results and, vice versa, the gradient expansion can be used to derive results in perturbation theory at higher order and large scales.

A gauge-independent zeroth-order regular approximation to the exact relativistic Hamiltonian—Formulation and applications

NASA Astrophysics Data System (ADS)

Filatov, Michael; Cremer, Dieter

2005-01-01

A simple modification of the zeroth-order regular approximation (ZORA) in relativistic theory is suggested to suppress its erroneous gauge dependence to a high level of approximation. The method, coined gauge-independent ZORA (ZORA-GI), can be easily installed in any existing nonrelativistic quantum chemical package by programming simple one-electron matrix elements for the quasirelativistic Hamiltonian. Results of benchmark calculations obtained with ZORA-GI at the Hartree-Fock (HF) and second-order Møller-Plesset perturbation theory (MP2) level for dihalogens X2 (X=F,Cl,Br,I,At) are in good agreement with the results of four-component relativistic calculations (HF level) and experimental data (MP2 level). ZORA-GI calculations based on MP2 or coupled-cluster theory with single and double perturbations and a perturbative inclusion of triple excitations [CCSD(T)] lead to accurate atomization energies and molecular geometries for the tetroxides of group VIII elements. With ZORA-GI/CCSD(T), an improved estimate for the atomization energy of hassium (Z=108) tetroxide is obtained.

Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: application to symmetry breaking problems.

PubMed

Bozkaya, Uğur

2011-12-14

In this research, orbital-optimized third-order Møller-Plesset perturbation theory (OMP3) and its spin-component and spin-opposite scaled variants (SCS-OMP3 and SOS-OMP3) are introduced. Using a Lagrangian-based approach, an efficient, quadratically convergent algorithm for variational optimization of the molecular orbitals (MOs) for third-order Møller-Plesset perturbation theory (MP3) is presented. Explicit equations for response density matrices, the MO gradient, and Hessian are reported in spin-orbital form. The OMP3, SCS-OMP3, and SOS-OMP3 approaches are compared with the second-order Møller-Plesset perturbation theory (MP2), MP3, coupled-cluster doubles (CCD), optimized-doubles (OD), and coupled-cluster singles and doubles (CCSD) methods. All these methods are applied to the O(4)(+), O(3), and seven diatomic molecules. Results demonstrate that the OMP3 and its variants provide significantly better vibrational frequencies than MP3, CCSD, and OD for the molecules where the symmetry-breaking problems are observed. For O(4)(+), the OMP3 prediction, 1343 cm(-1), for ω(6) (b(3u)) mode, where symmetry-breaking appears, is even better than presumably more reliable methods such as Brueckner doubles (BD), 1194 cm(-1), and OD, 1193 cm(-1), methods (the experimental value is 1320 cm(-1)). For O(3), the predictions of SCS-OMP3 (1143 cm(-1)) and SOS-OMP3 (1165 cm(-1)) are remarkably better than the more robust OD method (1282 cm(-1)); the experimental value is 1089 cm(-1). For the seven diatomics, again the SCS-OMP3 and SOS-OMP3 methods provide the lowest average errors, ∣Δω(e)∣ = 44 and ∣Δω(e)∣ = 35 cm(-1), respectively, while for OD, ∣Δω(e)∣ = 161 cm(-1)and CCSD ∣Δω(e)∣ = 106 cm(-1). Hence, the OMP3 and especially its spin-scaled variants perform much better than the MP3, CCSD, and more robust OD approaches for considered test cases. Therefore, considering both the computational cost and the reliability, SCS-OMP3 and SOS-OMP3 appear to be the best methods for the symmetry-breaking cases, based on present application results. The OMP3 method offers certain advantages: it provides reliable vibrational frequencies in case of symmetry-breaking problems, especially with spin-scaling tricks, its analytic gradients are easier to compute since there is no need to solve the coupled-perturbed equations for the orbital response, and the computation of one-electron properties are easier because there is no response contribution to the particle density matrices. The OMP3 has further advantages over standard MP3, making it promising for excited state properties via linear response theory. © 2011 American Institute of Physics

Optimal guidance law development for an advanced launch system

NASA Technical Reports Server (NTRS)

Calise, Anthony J.; Hodges, Dewey H.; Leung, Martin S.; Bless, Robert R.

1991-01-01

The proposed investigation on a Matched Asymptotic Expansion (MAE) method was carried out. It was concluded that the method of MAE is not applicable to launch vehicle ascent trajectory optimization due to a lack of a suitable stretched variable. More work was done on the earlier regular perturbation approach using a piecewise analytic zeroth order solution to generate a more accurate approximation. In the meantime, a singular perturbation approach using manifold theory is also under current investigation. Work on a general computational environment based on the use of MACSYMA and the weak Hamiltonian finite element method continued during this period. This methodology is capable of the solution of a large class of optimal control problems.

Stochastic many-body perturbation theory for anharmonic molecular vibrations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hermes, Matthew R.; Hirata, So, E-mail: sohirata@illinois.edu; CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012

2014-08-28

A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value ofmore » a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm{sup −1} and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.« less

Theoretical study on the photoabsorption in the Herzberg I band system of the O 2 molecule

NASA Astrophysics Data System (ADS)

Takegami, Ryuta; Yabushita, Satoshi

2005-01-01

The Herzberg I band system of the oxygen molecule is electric-dipole forbidden and its absorption strength has been explained by intensity borrowing models which include the spin-orbit (SO) and L-uncoupling (RO) interactions as perturbations. We employed three different levels of theoretical models to evaluate these two interactions, and obtained the rotational and vibronic absorption strengths using the ab initio method. The first model calculates the transition moments induced by the SO interaction variationally with the SO configuration interaction method (SOCI), and uses the first-order perturbation theory for the RO interaction, and is called SOCI. The second is based on the first-order perturbation theory for both the SO and RO interactions, and is called Pert(Full). The last is a limited version of Pert(Full), in that the first-order perturbation wavefunction for the initial and final state is represented by only one dominant basis, namely the 1 3Π g and B3Σu- state, respectively, as originally used by England et al. [Can. J. Phys. 74 (1996) 185], and is called Pert(England). The vibronic oscillator strengths calculated by these three models were in good agreement with the experimental values. As for the integrated rotational linestrengths, the SOCI and Pert(Full) models reproduced the experimental results very well, however the Pert(England) model did not give satisfactory results. Since the Pert(England) model takes only the 1 3Π g and B3Σu- states into consideration, it cannot contain the complicated configuration interactions with highly excited states induced by the SO and RO interaction, which plays an important role for calculating the delicate integrated rotational linestrength. This result suggests that the configuration interaction with highly excited states due to some perturbations cannot be neglected in the case of very weak absorption band systems.

Statistical State Dynamics Based Study of the Role of Nonlinearity in the Maintenance of Turbulence in Couette Flow

NASA Astrophysics Data System (ADS)

Farrell, Brian; Ioannou, Petros; Nikolaidis, Marios-Andreas

2017-11-01

While linear non-normality underlies the mechanism of energy transfer from the externally driven flow to the perturbation field, nonlinearity is also known to play an essential role in sustaining turbulence. We report a study based on the statistical state dynamics of Couette flow turbulence with the goal of better understanding the role of nonlinearity in sustaining turbulence. The statistical state dynamics implementations used are ensemble closures at second order in a cumulant expansion of the Navier-Stokes equations in which the averaging operator is the streamwise mean. Two fundamentally non-normal mechanisms potentially contributing to maintaining the second cumulant are identified. These are essentially parametric perturbation growth arising from interaction of the perturbations with the fluctuating mean flow and transient growth of perturbations arising from nonlinear interaction between components of the perturbation field. By the method of selectively including these mechanisms parametric growth is found to maintain the perturbation field in the turbulent state while the more commonly invoked mechanism associated with transient growth of perturbations arising from scattering by nonlinear interaction is found to suppress perturbation variance. Funded by ERC Coturb Madrid Summer Program and NSF AGS-1246929.

Complete Hamiltonian analysis of cosmological perturbations at all orders II: non-canonical scalar field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandi, Debottam; Shankaranarayanan, S., E-mail: debottam@iisertvm.ac.in, E-mail: shanki@iisertvm.ac.in

2016-10-01

In this work, we present a consistent Hamiltonian analysis of cosmological perturbations for generalized non-canonical scalar fields. In order to do so, we introduce a new phase-space variable that is uniquely defined for different non-canonical scalar fields. We also show that this is the simplest and efficient way of expressing the Hamiltonian. We extend the Hamiltonian approach of [1] to non-canonical scalar field and obtain an unique expression of speed of sound in terms of phase-space variable. In order to invert generalized phase-space Hamilton's equations to Euler-Lagrange equations of motion, we prescribe a general inversion formulae and show that ourmore » approach for non-canonical scalar field is consistent. We also obtain the third and fourth order interaction Hamiltonian for generalized non-canonical scalar fields and briefly discuss the extension of our method to generalized Galilean scalar fields.« less

Identification of transmissivity fields using a Bayesian strategy and perturbative approach

NASA Astrophysics Data System (ADS)

Zanini, Andrea; Tanda, Maria Giovanna; Woodbury, Allan D.

2017-10-01

The paper deals with the crucial problem of the groundwater parameter estimation that is the basis for efficient modeling and reclamation activities. A hierarchical Bayesian approach is developed: it uses the Akaike's Bayesian Information Criteria in order to estimate the hyperparameters (related to the covariance model chosen) and to quantify the unknown noise variance. The transmissivity identification proceeds in two steps: the first, called empirical Bayesian interpolation, uses Y* (Y = lnT) observations to interpolate Y values on a specified grid; the second, called empirical Bayesian update, improve the previous Y estimate through the addition of hydraulic head observations. The relationship between the head and the lnT has been linearized through a perturbative solution of the flow equation. In order to test the proposed approach, synthetic aquifers from literature have been considered. The aquifers in question contain a variety of boundary conditions (both Dirichelet and Neuman type) and scales of heterogeneities (σY2 = 1.0 and σY2 = 5.3). The estimated transmissivity fields were compared to the true one. The joint use of Y* and head measurements improves the estimation of Y considering both degrees of heterogeneity. Even if the variance of the strong transmissivity field can be considered high for the application of the perturbative approach, the results show the same order of approximation of the non-linear methods proposed in literature. The procedure allows to compute the posterior probability distribution of the target quantities and to quantify the uncertainty in the model prediction. Bayesian updating has advantages related both to the Monte-Carlo (MC) and non-MC approaches. In fact, as the MC methods, Bayesian updating allows computing the direct posterior probability distribution of the target quantities and as non-MC methods it has computational times in the order of seconds.

The role of higher-order terms in perturbation approaches to the monomer and\\xA0bonding contributions in a SAFT-type equation of state for square-well chain\\xA0fluids

NASA Astrophysics Data System (ADS)

Solana, J. R.; Akhouri, B. P.

2018-07-01

A perturbation theory for square-well chain fluids is developed within the scheme of the (generalised) Wertheim thermodynamic perturbation theory. The theory is based on the Pavlyukhin parametrisations [Y. T. Pavlyukhin, J. Struct. Chem. 53, 476 (2012)] of their simulation data for the first four perturbation terms in the high temperature expansion of the Helmholtz free energy of square-well monomer fluids combined with a second-order perturbation theory for the contact value of the radial distribution function of the square-well monomer fluid that enters into bonding contribution. To obtain the latter perturbation terms, we have performed computer simulations in the hard-sphere reference system. The importance of the perturbation terms beyond the second-order one for the monomer fluid and of the approximations of different orders in the bonding contribution for the chain fluids in the predicted equation of state, excess energy and liquid-vapour coexistence densities is analysed.

Perturbation Theory for Scattering from Multilayers with Randomly Rough Fractal Interfaces: Remote Sensing Applications.

PubMed

Imperatore, Pasquale; Iodice, Antonio; Riccio, Daniele

2017-12-27

A general, approximate perturbation method, able to provide closed-form expressions of scattering from a layered structure with an arbitrary number of rough interfaces, has been recently developed. Such a method provides a unique tool for the characterization of radar response patterns of natural rough multilayers. In order to show that, here, for the first time in a journal paper, we describe the application of the developed perturbation theory to fractal interfaces; we then employ the perturbative method solution to analyze the scattering from real-world layered structures of practical interest in remote sensing applications. We focus on the dependence of normalized radar cross section on geometrical and physical properties of the considered scenarios, and we choose two classes of natural stratifications: wet paleosoil covered by a low-loss dry sand layer and a sea-ice layer above water with dry snow cover. Results are in accordance with the experimental evidence available in the literature for the low-loss dry sand layer, and they may provide useful indications about the actual ability of remote sensing instruments to perform sub-surface sensing for different sensor and scene parameters.

Perturbation Theory for Scattering from Multilayers with Randomly Rough Fractal Interfaces: Remote Sensing Applications

PubMed Central

2017-01-01

A general, approximate perturbation method, able to provide closed-form expressions of scattering from a layered structure with an arbitrary number of rough interfaces, has been recently developed. Such a method provides a unique tool for the characterization of radar response patterns of natural rough multilayers. In order to show that, here, for the first time in a journal paper, we describe the application of the developed perturbation theory to fractal interfaces; we then employ the perturbative method solution to analyze the scattering from real-world layered structures of practical interest in remote sensing applications. We focus on the dependence of normalized radar cross section on geometrical and physical properties of the considered scenarios, and we choose two classes of natural stratifications: wet paleosoil covered by a low-loss dry sand layer and a sea-ice layer above water with dry snow cover. Results are in accordance with the experimental evidence available in the literature for the low-loss dry sand layer, and they may provide useful indications about the actual ability of remote sensing instruments to perform sub-surface sensing for different sensor and scene parameters. PMID:29280979

KP Equation in a Three-Dimensional Unmagnetized Warm Dusty Plasma with Variable Dust Charge

NASA Astrophysics Data System (ADS)

El-Shorbagy, Kh. H.; Mahassen, Hania; El-Bendary, Atef Ahmed

2017-12-01

In this work, we investigate the propagation of three-dimensional nonlinear dust-acoustic and dust-Coulomb waves in an unmagnetized warm dusty plasma consisting of electrons, ions, and charged dust particles. The grain charge fluctuation is incorporated through the current balance equation. Using the perturbation method, a Kadomtsev-Petviashvili (KP) equation is obtained. It has been shown that the charge fluctuation would modify the wave structures, and the waves in such systems are unstable due to high-order long wave perturbations.

Stationary axisymmetric exteriors for perturbations of isolated bodies in general relativity, to second order

DOE Office of Scientific and Technical Information (OSTI.GOV)

MacCallum, Malcolm A. H.; Mars, Marc; Vera, Rauel

Perturbed stationary axisymmetric isolated bodies, e.g. stars, represented by a matter-filled interior and an asymptotically flat vacuum exterior joined at a surface where the Darmois matching conditions are satisfied, are considered. The initial state is assumed to be static. The perturbations of the matching conditions are derived and used as boundary conditions for the perturbed Ernst equations in the exterior region. The perturbations are calculated to second order. The boundary conditions are overdetermined: necessary and sufficient conditions for their compatibility are derived. The special case of perturbations of spherical bodies is given in detail.

Application of Hermitian time-dependent coupled-cluster response Ansätze of second order to excitation energies and frequency-dependent dipole polarizabilities

NASA Astrophysics Data System (ADS)

Wälz, Gero; Kats, Daniel; Usvyat, Denis; Korona, Tatiana; Schütz, Martin

2012-11-01

Linear-response methods, based on the time-dependent variational coupled-cluster or the unitary coupled-cluster model, and truncated at the second order according to the Møller-Plesset partitioning, i.e., the TD-VCC[2] and TD-UCC[2] linear-response methods, are presented and compared. For both of these methods a Hermitian eigenvalue problem has to be solved to obtain excitation energies and state eigenvectors. The excitation energies thus are guaranteed always to be real valued, and the eigenvectors are mutually orthogonal, in contrast to response theories based on “traditional” coupled-cluster models. It turned out that the TD-UCC[2] working equations for excitation energies and polarizabilities are equivalent to those of the second-order algebraic diagrammatic construction scheme ADC(2). Numerical tests are carried out by calculating TD-VCC[2] and TD-UCC[2] excitation energies and frequency-dependent dipole polarizabilities for several test systems and by comparing them to the corresponding values obtained from other second- and higher-order methods. It turns out that the TD-VCC[2] polarizabilities in the frequency regions away from the poles are of a similar accuracy as for other second-order methods, as expected from the perturbative analysis of the TD-VCC[2] polarizability expression. On the other hand, the TD-VCC[2] excitation energies are systematically too low relative to other second-order methods (including TD-UCC[2]). On the basis of these results and an analysis presented in this work, we conjecture that the perturbative expansion of the Jacobian converges more slowly for the TD-VCC formalism than for TD-UCC or for response theories based on traditional coupled-cluster models.

Investigation of a Diagnostic for Perturbation Theory: Comparison to the T(sub 1) Diagnostic of Coupled-Cluster Theory

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Head-Gordon, Martin; Rendell, Alistair P.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

A diagnostic for perturbation theory calculations, S(sub 2), is defined and numerical results are compared to the established T(sub 1) diagnostic from coupled-cluster theory. S(sub 2) is the lowest order non-zero contribution to a perturbation expansion of T(sub 1). S(sub 2) is a reasonable estimate of the importance of non-dynamical electron correlation, although not as reliable as T(sub 1). S(sub 2) values less than or equal to 0.012 suggest that low orders of perturbation theory should yield reasonable results; S(sub 2) values between 0.012-0.015 suggest that caution is required in interpreting results from low orders of perturbation theory; S(sub 2) values greater than or equal to 0.015 indicate that low orders of perturbation theory are not reliable for accurate results. Although not required mathematically, S(sub 2) is always less than T(sub 1) for the examples studied here.

Precision ESR measurements of transverse anisotropy in the single-molecule magnet Ni4

NASA Astrophysics Data System (ADS)

Collett, Charles A.; Allão Cassaro, Rafael A.; Friedman, Jonathan R.

2016-12-01

We present a method for precisely measuring the tunnel splitting in single-molecule magnets (SMMs) using electron-spin resonance, and use these measurements to precisely and independently determine the underlying transverse anisotropy parameter, given a certain class of transitions. By diluting samples of the SMM Ni4 via cocrystallization in a diamagnetic isostructural analog we obtain markedly narrower resonance peaks than are observed in undiluted samples. Using custom loop-gap resonators we measure the transitions at several frequencies, allowing a precise determination of the tunnel splitting. Because the transition under investigation occurs at zero field, and arises due to a first-order perturbation from the transverse anisotropy, we can determine the magnitude of this anisotropy independent of any other Hamiltonian parameters. This method can be applied to other SMMs with tunnel splittings arising from first-order transverse anisotropy perturbations.

Homotopy perturbation method: a versatile tool to evaluate linear and nonlinear fuzzy Volterra integral equations of the second kind.

PubMed

Narayanamoorthy, S; Sathiyapriya, S P

2016-01-01

In this article, we focus on linear and nonlinear fuzzy Volterra integral equations of the second kind and we propose a numerical scheme using homotopy perturbation method (HPM) to obtain fuzzy approximate solutions to them. To facilitate the benefits of this proposal, an algorithmic form of the HPM is also designed to handle the same. In order to illustrate the potentiality of the approach, two test problems are offered and the obtained numerical results are compared with the existing exact solutions and are depicted in terms of plots to reveal its precision and reliability.

Development of solution techniques for nonlinear structural analysis

NASA Technical Reports Server (NTRS)

Vos, R. G.; Andrews, J. S.

1974-01-01

Nonlinear structural solution methods in the current research literature are classified according to order of the solution scheme, and it is shown that the analytical tools for these methods are uniformly derivable by perturbation techniques. A new perturbation formulation is developed for treating an arbitrary nonlinear material, in terms of a finite-difference generated stress-strain expansion. Nonlinear geometric effects are included in an explicit manner by appropriate definition of an applicable strain tensor. A new finite-element pilot computer program PANES (Program for Analysis of Nonlinear Equilibrium and Stability) is presented for treatment of problems involving material and geometric nonlinearities, as well as certain forms on nonconservative loading.

Secondary isocurvature perturbations from acoustic reheating

NASA Astrophysics Data System (ADS)

Ota, Atsuhisa; Yamaguchi, Masahide

2018-06-01

The superhorizon (iso)curvature perturbations are conserved if the following conditions are satisfied: (i) (each) non adiabatic pressure perturbation is zero, (ii) the gradient terms are ignored, that is, at the leading order of the gradient expansion (iii) (each) total energy momentum tensor is conserved. We consider the case with the violation of the last two requirements and discuss the generation of secondary isocurvature perturbations during the late time universe. Second order gradient terms are not necessarily ignored even if we are interested in the long wavelength modes because of the convolutions which may pick products of short wavelength perturbations up. We then introduce second order conserved quantities on superhorizon scales under the conditions (i) and (iii) even in the presence of the gradient terms by employing the full second order cosmological perturbation theory. We also discuss the violation of the condition (iii), that is, the energy momentum tensor is conserved for the total system but not for each component fluid. As an example, we explicitly evaluate second order heat conduction between baryons and photons due to the weak Compton scattering, which dominates during the period just before recombination. We show that such secondary effects can be recast into the isocurvature perturbations on superhorizon scales if the local type primordial non Gaussianity exists a priori.

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations: Inviscid Fluxes

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

2010-01-01

Cell-centered and node-centered approaches have been compared for unstructured finite-volume discretization of inviscid fluxes. The grids range from regular grids to irregular grids, including mixed-element grids and grids with random perturbations of nodes. Accuracy, complexity, and convergence rates of defect-correction iterations are studied for eight nominally second-order accurate schemes: two node-centered schemes with weighted and unweighted least-squares (LSQ) methods for gradient reconstruction and six cell-centered schemes two node-averaging with and without clipping and four schemes that employ different stencils for LSQ gradient reconstruction. The cell-centered nearest-neighbor (CC-NN) scheme has the lowest complexity; a version of the scheme that involves smart augmentation of the LSQ stencil (CC-SA) has only marginal complexity increase. All other schemes have larger complexity; complexity of node-centered (NC) schemes are somewhat lower than complexity of cell-centered node-averaging (CC-NA) and full-augmentation (CC-FA) schemes. On highly anisotropic grids typical of those encountered in grid adaptation, discretization errors of five of the six cell-centered schemes converge with second order on all tested grids; the CC-NA scheme with clipping degrades solution accuracy to first order. The NC schemes converge with second order on regular and/or triangular grids and with first order on perturbed quadrilaterals and mixed-element grids. All schemes may produce large relative errors in gradient reconstruction on grids with perturbed nodes. Defect-correction iterations for schemes employing weighted least-square gradient reconstruction diverge on perturbed stretched grids. Overall, the CC-NN and CC-SA schemes offer the best options of the lowest complexity and secondorder discretization errors. On anisotropic grids over a curved body typical of turbulent flow simulations, the discretization errors converge with second order and are small for the CC-NN, CC-SA, and CC-FA schemes on all grids and for NC schemes on triangular grids; the discretization errors of the CC-NA scheme without clipping do not converge on irregular grids. Accurate gradient reconstruction can be achieved by introducing a local approximate mapping; without approximate mapping, only the NC scheme with weighted LSQ method provides accurate gradients. Defect correction iterations for the CC-NA scheme without clipping diverge; for the NC scheme with weighted LSQ method, the iterations either diverge or converge very slowly. The best option in curved geometries is the CC-SA scheme that offers low complexity, second-order discretization errors, and fast convergence.

A hierarchical generalization of the acoustic reciprocity theorem involving higher-order derivatives and interaction quantities.

PubMed

Lin, Ju; Li, Jie; Li, Xiaolei; Wang, Ning

2016-10-01

An acoustic reciprocity theorem is generalized, for a smoothly varying perturbed medium, to a hierarchy of reciprocity theorems including higher-order derivatives of acoustic fields. The standard reciprocity theorem is the first member of the hierarchy. It is shown that the conservation of higher-order interaction quantities is related closely to higher-order derivative distributions of perturbed media. Then integral reciprocity theorems are obtained by applying Gauss's divergence theorem, which give explicit integral representations connecting higher-order interactions and higher-order derivative distributions of perturbed media. Some possible applications to an inverse problem are also discussed.

Fast large scale structure perturbation theory using one-dimensional fast Fourier transforms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmittfull, Marcel; Vlah, Zvonimir; McDonald, Patrick

The usual fluid equations describing the large-scale evolution of mass density in the universe can be written as local in the density, velocity divergence, and velocity potential fields. As a result, the perturbative expansion in small density fluctuations, usually written in terms of convolutions in Fourier space, can be written as a series of products of these fields evaluated at the same location in configuration space. Based on this, we establish a new method to numerically evaluate the 1-loop power spectrum (i.e., Fourier transform of the 2-point correlation function) with one-dimensional fast Fourier transforms. This is exact and a fewmore » orders of magnitude faster than previously used numerical approaches. Numerical results of the new method are in excellent agreement with the standard quadrature integration method. This fast model evaluation can in principle be extended to higher loop order where existing codes become painfully slow. Our approach follows by writing higher order corrections to the 2-point correlation function as, e.g., the correlation between two second-order fields or the correlation between a linear and a third-order field. These are then decomposed into products of correlations of linear fields and derivatives of linear fields. In conclusion, the method can also be viewed as evaluating three-dimensional Fourier space convolutions using products in configuration space, which may also be useful in other contexts where similar integrals appear.« less

Fast large scale structure perturbation theory using one-dimensional fast Fourier transforms

DOE PAGES

Schmittfull, Marcel; Vlah, Zvonimir; McDonald, Patrick

2016-05-01

The usual fluid equations describing the large-scale evolution of mass density in the universe can be written as local in the density, velocity divergence, and velocity potential fields. As a result, the perturbative expansion in small density fluctuations, usually written in terms of convolutions in Fourier space, can be written as a series of products of these fields evaluated at the same location in configuration space. Based on this, we establish a new method to numerically evaluate the 1-loop power spectrum (i.e., Fourier transform of the 2-point correlation function) with one-dimensional fast Fourier transforms. This is exact and a fewmore » orders of magnitude faster than previously used numerical approaches. Numerical results of the new method are in excellent agreement with the standard quadrature integration method. This fast model evaluation can in principle be extended to higher loop order where existing codes become painfully slow. Our approach follows by writing higher order corrections to the 2-point correlation function as, e.g., the correlation between two second-order fields or the correlation between a linear and a third-order field. These are then decomposed into products of correlations of linear fields and derivatives of linear fields. In conclusion, the method can also be viewed as evaluating three-dimensional Fourier space convolutions using products in configuration space, which may also be useful in other contexts where similar integrals appear.« less

New Methods in Non-Perturbative QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Unsal, Mithat

2017-01-31

In this work, we investigate the properties of quantum chromodynamics (QCD), by using newly developing mathematics and physics formalisms. Almost all of the mass in the visible universe emerges from a quantum chromodynamics (QCD), which has a completely negligible microscopic mass content. An intimately related issue in QCD is the quark confinement problem. Answers to non-perturbative questions in QCD remained largely elusive despite much effort over the years. It is also believed that the usual perturbation theory is inadequate to address these kinds of problems. Perturbation theory gives a divergent asymptotic series (even when the theory is properly renormalized), andmore » there are non-perturbative phenomena which never appear at any order in perturbation theory. Recently, a fascinating bridge between perturbation theory and non-perturbative effects has been found: a formalism called resurgence theory in mathematics tells us that perturbative data and non-perturbative data are intimately related. Translating this to the language of quantum field theory, it turns out that non-perturbative information is present in a coded form in perturbation theory and it can be decoded. We take advantage of this feature, which is particularly useful to understand some unresolved mysteries of QCD from first principles. In particular, we use: a) Circle compactifications which provide a semi-classical window to study confinement and mass gap problems, and calculable prototypes of the deconfinement phase transition; b) Resurgence theory and transseries which provide a unified framework for perturbative and non-perturbative expansion; c) Analytic continuation of path integrals and Lefschetz thimbles which may be useful to address sign problem in QCD at finite density.« less

Fuzzy interval Finite Element/Statistical Energy Analysis for mid-frequency analysis of built-up systems with mixed fuzzy and interval parameters

NASA Astrophysics Data System (ADS)

Yin, Hui; Yu, Dejie; Yin, Shengwen; Xia, Baizhan

2016-10-01

This paper introduces mixed fuzzy and interval parametric uncertainties into the FE components of the hybrid Finite Element/Statistical Energy Analysis (FE/SEA) model for mid-frequency analysis of built-up systems, thus an uncertain ensemble combining non-parametric with mixed fuzzy and interval parametric uncertainties comes into being. A fuzzy interval Finite Element/Statistical Energy Analysis (FIFE/SEA) framework is proposed to obtain the uncertain responses of built-up systems, which are described as intervals with fuzzy bounds, termed as fuzzy-bounded intervals (FBIs) in this paper. Based on the level-cut technique, a first-order fuzzy interval perturbation FE/SEA (FFIPFE/SEA) and a second-order fuzzy interval perturbation FE/SEA method (SFIPFE/SEA) are developed to handle the mixed parametric uncertainties efficiently. FFIPFE/SEA approximates the response functions by the first-order Taylor series, while SFIPFE/SEA improves the accuracy by considering the second-order items of Taylor series, in which all the mixed second-order items are neglected. To further improve the accuracy, a Chebyshev fuzzy interval method (CFIM) is proposed, in which the Chebyshev polynomials is used to approximate the response functions. The FBIs are eventually reconstructed by assembling the extrema solutions at all cut levels. Numerical results on two built-up systems verify the effectiveness of the proposed methods.

Perturbation-free measurement of in situ di-nitrogen emissions from denitrification in nitrate-rich aquatic ecosystems.

PubMed

Qin, Shuping; Clough, Timothy; Luo, Jiafa; Wrage-Mönnig, Nicole; Oenema, Oene; Zhang, Yuming; Hu, Chunsheng

2017-02-01

Increased production of reactive nitrogen (Nr) from atmospheric di-nitrogen (N 2 ) has greatly contributed to increased food production. However, enriching the biosphere with Nr has also caused a series of negative effects on global ecosystems, especially aquatic ecosystems. The main pathway converting Nr back into the atmospheric N 2 pool is the last step in the denitrification process. Despite several attempts, there is still a need for perturbation-free methods for measuring in situ N 2 fluxes from denitrification in aquatic ecosystems at the field scale. Such a method is needed to comprehensively quantify the N 2 fluxes from aquatic ecosystems. Here we observed linear relationships between the δ 15 N-N 2 O signatures and the logarithmically transformed N 2 O/(N 2 +N 2 O) emission ratios. Through independent measurements, we verified that the perturbation-free N 2 flux from denitrification in nitrate-rich aquatic ecosystems can be inferred from these linear relationships. Our method allowed the determination of field-scale in situ N 2 fluxes from nitrate-rich aquatic ecosystems both with and without overlaying water. The perturbation-free in situ N 2 fluxes observed by the new method were almost one order of magnitude higher than those by the sediment core method. The ability of aquatic ecosystems to remove Nr may previously have been severely underestimated. Copyright © 2016 Elsevier Ltd. All rights reserved.

The correlation function for density perturbations in an expanding universe. III The three-point and predictions of the four-point and higher order correlation functions

NASA Technical Reports Server (NTRS)

Mcclelland, J.; Silk, J.

1978-01-01

Higher-order correlation functions for the large-scale distribution of galaxies in space are investigated. It is demonstrated that the three-point correlation function observed by Peebles and Groth (1975) is not consistent with a distribution of perturbations that at present are randomly distributed in space. The two-point correlation function is shown to be independent of how the perturbations are distributed spatially, and a model of clustered perturbations is developed which incorporates a nonuniform perturbation distribution and which explains the three-point correlation function. A model with hierarchical perturbations incorporating the same nonuniform distribution is also constructed; it is found that this model also explains the three-point correlation function, but predicts different results for the four-point and higher-order correlation functions than does the model with clustered perturbations. It is suggested that the model of hierarchical perturbations might be explained by the single assumption of having density fluctuations or discrete objects all of the same mass randomly placed at some initial epoch.

Privacy Is Become with, Data Perturbation

NASA Astrophysics Data System (ADS)

Singh, Er. Niranjan; Singhai, Niky

2011-06-01

Privacy is becoming an increasingly important issue in many data mining applications that deal with health care, security, finance, behavior and other types of sensitive data. Is particularly becoming important in counterterrorism and homeland security-related applications. We touch upon several techniques of masking the data, namely random distortion, including the uniform and Gaussian noise, applied to the data in order to protect it. These perturbation schemes are equivalent to additive perturbation after the logarithmic Transformation. Due to the large volume of research in deriving private information from the additive noise perturbed data, the security of these perturbation schemes is questionable Many artificial intelligence and statistical methods exist for data analysis interpretation, Identifying and measuring the interestingness of patterns and rules discovered, or to be discovered is essential for the evaluation of the mined knowledge and the KDD process as a whole. While some concrete measurements exist, assessing the interestingness of discovered knowledge is still an important research issue. As the tool for the algorithm implementations we chose the language of choice in industrial world MATLAB.

Nonperturbative Quantum Physics from Low-Order Perturbation Theory.

PubMed

Mera, Héctor; Pedersen, Thomas G; Nikolić, Branislav K

2015-10-02

The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy is shifted and broadened, thus acquiring an imaginary part which is considered to be a paradigm of nonperturbative behavior. Here we demonstrate how the low order coefficients of a divergent perturbation series can be used to obtain excellent approximations to both real and imaginary parts of the perturbed ground state eigenenergy. The key is to use analytic continuation functions with a built-in singularity structure within the complex plane of the coupling constant, which is tailored by means of Bender-Wu dispersion relations. In the examples discussed the analytic continuation functions are Gauss hypergeometric functions, which take as input fourth order perturbation theory and return excellent approximations to the complex perturbed eigenvalue. These functions are Borel consistent and dramatically outperform widely used Padé and Borel-Padé approaches, even for rather large values of the coupling constant.

Inferring Regulatory Networks by Combining Perturbation Screens and Steady State Gene Expression Profiles

PubMed Central

Michailidis, George

2014-01-01

Reconstructing transcriptional regulatory networks is an important task in functional genomics. Data obtained from experiments that perturb genes by knockouts or RNA interference contain useful information for addressing this reconstruction problem. However, such data can be limited in size and/or are expensive to acquire. On the other hand, observational data of the organism in steady state (e.g., wild-type) are more readily available, but their informational content is inadequate for the task at hand. We develop a computational approach to appropriately utilize both data sources for estimating a regulatory network. The proposed approach is based on a three-step algorithm to estimate the underlying directed but cyclic network, that uses as input both perturbation screens and steady state gene expression data. In the first step, the algorithm determines causal orderings of the genes that are consistent with the perturbation data, by combining an exhaustive search method with a fast heuristic that in turn couples a Monte Carlo technique with a fast search algorithm. In the second step, for each obtained causal ordering, a regulatory network is estimated using a penalized likelihood based method, while in the third step a consensus network is constructed from the highest scored ones. Extensive computational experiments show that the algorithm performs well in reconstructing the underlying network and clearly outperforms competing approaches that rely only on a single data source. Further, it is established that the algorithm produces a consistent estimate of the regulatory network. PMID:24586224

Transitions of stationary to pulsating solutions in the complex cubic-quintic Ginzburg-Landau equation under the influence of nonlinear gain and higher-order effects

NASA Astrophysics Data System (ADS)

Uzunov, Ivan M.; Georgiev, Zhivko D.; Arabadzhiev, Todor N.

2018-05-01

In this paper we study the transitions of stationary to pulsating solutions in the complex cubic-quintic Ginzburg-Landau equation (CCQGLE) under the influence of nonlinear gain, its saturation, and higher-order effects: self-steepening, third-order of dispersion, and intrapulse Raman scattering in the anomalous dispersion region. The variation method and the method of moments are applied in order to obtain the dynamic models with finite degrees of freedom for the description of stationary and pulsating solutions. Having applied the first model and its bifurcation analysis we have discovered the existence of families of subcritical Poincaré-Andronov-Hopf bifurcations due to the intrapulse Raman scattering, as well as some small nonlinear gain and the saturation of the nonlinear gain. A phenomenon of nonlinear stability has been studied and it has been shown that long living pulsating solutions with relatively small fluctuations of amplitude and frequencies exist at the bifurcation point. The numerical analysis of the second model has revealed the existence of Poincaré-Andronov-Hopf bifurcations of Raman dissipative soliton under the influence of the self-steepening effect and large nonlinear gain. All our theoretical predictions have been confirmed by the direct numerical solution of the full perturbed CCQGLE. The detailed comparison between the results obtained by both dynamic models and the direct numerical solution of the perturbed CCQGLE has proved the applicability of the proposed models in the investigation of the solutions of the perturbed CCQGLE.

Estimation of geopotential from satellite-to-satellite range rate data: Numerical results

NASA Technical Reports Server (NTRS)

Thobe, Glenn E.; Bose, Sam C.

1987-01-01

A technique for high-resolution geopotential field estimation by recovering the harmonic coefficients from satellite-to-satellite range rate data is presented and tested against both a controlled analytical simulation of a one-day satellite mission (maximum degree and order 8) and then against a Cowell method simulation of a 32-day mission (maximum degree and order 180). Innovations include: (1) a new frequency-domain observation equation based on kinetic energy perturbations which avoids much of the complication of the usual Keplerian element perturbation approaches; (2) a new method for computing the normalized inclination functions which unlike previous methods is both efficient and numerically stable even for large harmonic degrees and orders; (3) the application of a mass storage FFT to the entire mission range rate history; (4) the exploitation of newly discovered symmetries in the block diagonal observation matrix which reduce each block to the product of (a) a real diagonal matrix factor, (b) a real trapezoidal factor with half the number of rows as before, and (c) a complex diagonal factor; (5) a block-by-block least-squares solution of the observation equation by means of a custom-designed Givens orthogonal rotation method which is both numerically stable and tailored to the trapezoidal matrix structure for fast execution.

Exploring the boundary between aromatic and olefinic character: Bad news for second-order perturbation theory and density functional schemes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sulzbach, H.M.; Schaefer, H.F. III; Klopper, W.

1996-04-10

The question whether [10]annulene prefers olefinic structures with alternate single and double bonds or aromatic structures like all other small to medium sized uncharged (4n + 2){pi} electron homologs (e.g. benzene, [14]annulene) has been controversial for more than 20 years. Our new results suggest that only the high-order correlated methods will be able to correctly predict the [10]annulene potential energy surface. The UNO-CAS results and the strong oscillation of the MP series show that nondynamical electron correlation is important. Consequently, reliable results can only be expected at the highest correlated levels like CCSD(T) method, which predicts the olefinic twist structuremore » to be lower in energy by 3-7 kcal/mol. This prediction that the twist structure is lower in energy is supported by (a) the MP2-R12 method, which shows that large basis sets favor the olefinic structure relative to the aromatic, and (b) the fact that both structures are about equally affected by nondynamical electron correlation. We conclude that [10]annulene is a system which cannot be described adequately by either second-order Moller-Plesset perturbation theory or density functional methods. 13 refs., 3 tabs.« less

Extension of local-type inequality for the higher order correlation functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suyama, Teruaki; Yokoyama, Shuichiro, E-mail: suyama@resceu.s.u-tokyo.ac.jp, E-mail: shu@a.phys.nagoya-u.ac.jp

2011-07-01

For the local-type primordial perturbation, it is known that there is an inequality between the bispectrum and the trispectrum. By using the diagrammatic method, we develop a general formalism to systematically construct the similar inequalities up to any order correlation function. As an application, we explicitly derive all the inequalities up to six and eight-point functions.

State Transition Matrix for Perturbed Orbital Motion Using Modified Chebyshev Picard Iteration

NASA Astrophysics Data System (ADS)

Read, Julie L.; Younes, Ahmad Bani; Macomber, Brent; Turner, James; Junkins, John L.

2015-06-01

The Modified Chebyshev Picard Iteration (MCPI) method has recently proven to be highly efficient for a given accuracy compared to several commonly adopted numerical integration methods, as a means to solve for perturbed orbital motion. This method utilizes Picard iteration, which generates a sequence of path approximations, and Chebyshev Polynomials, which are orthogonal and also enable both efficient and accurate function approximation. The nodes consistent with discrete Chebyshev orthogonality are generated using cosine sampling; this strategy also reduces the Runge effect and as a consequence of orthogonality, there is no matrix inversion required to find the basis function coefficients. The MCPI algorithms considered herein are parallel-structured so that they are immediately well-suited for massively parallel implementation with additional speedup. MCPI has a wide range of applications beyond ephemeris propagation, including the propagation of the State Transition Matrix (STM) for perturbed two-body motion. A solution is achieved for a spherical harmonic series representation of earth gravity (EGM2008), although the methodology is suitable for application to any gravity model. Included in this representation the normalized, Associated Legendre Functions are given and verified numerically. Modifications of the classical algorithm techniques, such as rewriting the STM equations in a second-order cascade formulation, gives rise to additional speedup. Timing results for the baseline formulation and this second-order formulation are given.

Complete Hamiltonian analysis of cosmological perturbations at all orders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandi, Debottam; Shankaranarayanan, S., E-mail: debottam@iisertvm.ac.in, E-mail: shanki@iisertvm.ac.in

2016-06-01

In this work, we present a consistent Hamiltonian analysis of cosmological perturbations at all orders. To make the procedure transparent, we consider a simple model and resolve the 'gauge-fixing' issues and extend the analysis to scalar field models and show that our approach can be applied to any order of perturbation for any first order derivative fields. In the case of Galilean scalar fields, our procedure can extract constrained relations at all orders in perturbations leading to the fact that there is no extra degrees of freedom due to the presence of higher time derivatives of the field in themore » Lagrangian. We compare and contrast our approach to the Lagrangian approach (Chen et al. [2006]) for extracting higher order correlations and show that our approach is efficient and robust and can be applied to any model of gravity and matter fields without invoking slow-roll approximation.« less

A perturbative correction for electron-inertia in magnetized sheath structures

NASA Astrophysics Data System (ADS)

Gohain, Munmi; Karmakar, Pralay K.

2016-10-01

We propose a hydrodynamic model to study the equilibrium properties of planar plasma sheaths in two-component quasi-neutral magnetized plasmas. It includes weak but finite electron-inertia incorporated via a regular perturbation of the electronic fluid dynamics only relative to a new smallness parameter, δ, assessing the weak inertial-to-electromagnetic strengths. The zeroth-order perturbation around δ leads to the usual Boltzmann distribution law, which describes inertialess thermalized electrons. The forthwith next higher-order yields the modified Boltzmann law describing the putative lowest-order electron-inertial correction, which is applied meticulously to derive the local Bohm criterion for sheath formation. It is found to be influenced jointly by electron-inertial corrective effects, magnetic field and field orientation relative to the bulk plasma flow. We establish that the mutualistic action of electron-inertia amid gyro-kinetic effects slightly enhances the ion-flow Mach threshold value (typically, M i0 ⩾ 1.140), against the normal value of unity, confrontationally towards the sheath entrance. A numerical illustrative scheme is methodically constructed to see the parametric dependence of the new sheath properties on diverse problem arguments. The merits and demerits are highlighted in the light of the existing results conjointly with clear indication to future ameliorations.

Computation of solar perturbations with Poisson series

NASA Technical Reports Server (NTRS)

Broucke, R.

1974-01-01

Description of a project for computing first-order perturbations of natural or artificial satellites by integrating the equations of motion on a computer with automatic Poisson series expansions. A basic feature of the method of solution is that the classical variation-of-parameters formulation is used rather than rectangular coordinates. However, the variation-of-parameters formulation uses the three rectangular components of the disturbing force rather than the classical disturbing function, so that there is no problem in expanding the disturbing function in series. Another characteristic of the variation-of-parameters formulation employed is that six rather unusual variables are used in order to avoid singularities at the zero eccentricity and zero (or 90 deg) inclination. The integration process starts by assuming that all the orbit elements present on the right-hand sides of the equations of motion are constants. These right-hand sides are then simple Poisson series which can be obtained with the use of the Bessel expansions of the two-body problem in conjunction with certain interation methods. These Poisson series can then be integrated term by term, and a first-order solution is obtained.

An attempt to estimate isotropic and anisotropic lateral structure of the Earth by spectral inversion incorporating mixed coupling

NASA Astrophysics Data System (ADS)

Oda, Hitoshi

2005-02-01

We present a way to calculate free oscillation spectra for an aspherical earth model, which is constructed by adding isotropic and anisotropic velocity perturbations to the seismic velocity parameters of a reference earth model, and examine the effect of the velocity perturbations on the free oscillation spectrum. Lateral variations of the velocity perturbations are parametrized as an expansion in generalized spherical harmonics. We assume weak hexagonal anisotropy for the seismic wave anisotropy in the upper mantle, where the hexagonal symmetry axes are horizontally distributed. The synthetic spectra show that the velocity perturbations cause not only strong self-coupling among singlets of a multiplet but also mixed coupling between toroidal and spheroidal multiplets. Both the couplings give rise to an amplitude anomaly on the vertical component spectrum. In this study, we identify the amplitude anomaly resulting from the mixed coupling as quasi-toroidal mode. Excitation of the quasi-toroidal mode by a vertical strike-slip fault is largest on nodal lines of the Rayleigh wave, decreases with increasing azimuth angle and becomes smallest on loop lines. This azimuthal dependence of the spectral amplitude is quite similar to the Love wave radiation pattern. In addition, the amplitude spectrum of the quasi-toroidal mode is more sensitive to the anisotropic velocity perturbation than to the isotropic velocity perturbation. This means that the mode spectrum allowing for the mixed-coupling effect may provide constraints on the anisotropic lateral structure as well as the isotropic lateral structure. An inversion method, called mixed-coupling spectral inversion, is devised to retrieve the isotropic and anisotropic velocity perturbations from the free oscillation spectra incorporating the quasi-toroidal mode. We confirm that the spectral inversion method correctly recovers the isotropic and anisotropic lateral structure. Moreover introducing the mixed-coupling effect in the spectral inversion makes it possible to estimate the odd-order lateral structure, which cannot be determined by the conventional spectral inversion, which takes no account of the mixed coupling. Higher order structure is biased by the mixed coupling when the conventional spectral inversion is applied to the amplitude spectra incorporating the mixed coupling.

Realization of the three-qubit quantum controlled gate based on matching Hermitian generators

NASA Astrophysics Data System (ADS)

Gautam, Kumar; Rawat, Tarun Kumar; Parthasarathy, Harish; Sharma, Navneet; Upadhyaya, Varun

2017-05-01

This paper deals with the design of quantum unitary gate by matching the Hermitian generators. A given complicated quantum controlled gate is approximated by perturbing a simple quantum system with a small time-varying potential. The basic idea is to evaluate the generator H_φ of the perturbed system approximately using first-order perturbation theory in the interaction picture. H_φ depends on a modulating signal φ(t){:} 0≤t≤T which modulates a known potential V. The generator H_φ of the given gate U_g is evaluated using H_g=ι log U_g. The optimal modulating signal φ(t) is chosen so that \\Vert H_g - H_φ \\Vert is a minimum. The simple quantum system chosen for our simulation is harmonic oscillator with charge perturbed by an electric field that is a constant in space but time varying and is controlled externally. This is used to approximate the controlled unitary gate obtained by perturbing the oscillator with an anharmonic term proportional to q^3. Simulations results show significantly small noise-to-signal ratio. Finally, we discuss how the proposed method is particularly suitable for designing some commonly used unitary gates. Another example was chosen to illustrate this method of gate design is the ion-trap model.

Mathematical Simulation of Perturbations of Attack Angle of Asymmetric Nanosatellite Passing through Resonance

NASA Astrophysics Data System (ADS)

Lyubimov, V. V.; Kurkina, E. V.

2018-05-01

The authors consider the problem of a dynamic system passing through a low-order resonance, describing an uncontrolled atmospheric descent of an asymmetric nanosatellite in the Earth's atmosphere. The authors perform mathematical and numerical modeling of the motion of the nanosatellite with a small mass-aerodynamic asymmetry relative to the center of mass. The aim of the study is to obtain new reliable approximate analytical estimates of perturbations of the angle of attack of a nanosatellite passing through resonance at angles of attack of not more than 0.5π. By using the stationary phase method, the authors were able to investigate a discontinuous perturbation in the angle of attack of a nanosatellite passing through a resonance with two different nanosatellite designs. Comparison of the results of the numerical modeling and new approximate analytical estimates of the perturbation of the angle of attack confirms the reliability of the said estimates.

Local convertibility of the ground state of the perturbed toric code

NASA Astrophysics Data System (ADS)

Santra, Siddhartha; Hamma, Alioscia; Cincio, Lukasz; Subasi, Yigit; Zanardi, Paolo; Amico, Luigi

2014-12-01

We present analytical and numerical studies of the behavior of the α -Renyi entropies in the toric code in presence of several types of perturbations aimed at studying the simulability of these perturbations to the parent Hamiltonian using local operations and classical communications (LOCC)—a property called local convertibility. In particular, the derivatives, with respect to the perturbation parameter, present different signs for different values of α within the topological phase. From the information-theoretic point of view, this means that such ground states cannot be continuously deformed within the topological phase by means of catalyst assisted local operations and classical communications (LOCC). Such LOCC differential convertibility is on the other hand always possible in the trivial disordered phase. The non-LOCC convertibility is remarkable because it can be computed on a system whose size is independent of correlation length. This method can therefore constitute an experimentally feasible witness of topological order.

Turbulence transition and the edge of chaos in pipe flow.

PubMed

Schneider, Tobias M; Eckhardt, Bruno; Yorke, James A

2007-07-20

The linear stability of pipe flow implies that only perturbations of sufficient strength will trigger the transition to turbulence. In order to determine this threshold in perturbation amplitude we study the edge of chaos which separates perturbations that decay towards the laminar profile and perturbations that trigger turbulence. Using the lifetime as an indicator and methods developed in Skufca et al., Phys. Rev. Lett. 96, 174101 (2006), we show that superimposed on an overall 1/Re scaling predicted and studied previously there are small, nonmonotonic variations reflecting folds in the edge of chaos. By tracing the motion in the edge we find that it is formed by the stable manifold of a unique flow field that is dominated by a pair of downstream vortices, asymmetrically placed towards the wall. The flow field that generates the edge of chaos shows intrinsic chaotic dynamics.

ASP: Automated symbolic computation of approximate symmetries of differential equations

NASA Astrophysics Data System (ADS)

Jefferson, G. F.; Carminati, J.

2013-03-01

A recent paper (Pakdemirli et al. (2004) [12]) compared three methods of determining approximate symmetries of differential equations. Two of these methods are well known and involve either a perturbation of the classical Lie symmetry generator of the differential system (Baikov, Gazizov and Ibragimov (1988) [7], Ibragimov (1996) [6]) or a perturbation of the dependent variable/s and subsequent determination of the classical Lie point symmetries of the resulting coupled system (Fushchych and Shtelen (1989) [11]), both up to a specified order in the perturbation parameter. The third method, proposed by Pakdemirli, Yürüsoy and Dolapçi (2004) [12], simplifies the calculations required by Fushchych and Shtelen's method through the assignment of arbitrary functions to the non-linear components prior to computing symmetries. All three methods have been implemented in the new MAPLE package ASP (Automated Symmetry Package) which is an add-on to the MAPLE symmetry package DESOLVII (Vu, Jefferson and Carminati (2012) [25]). To our knowledge, this is the first computer package to automate all three methods of determining approximate symmetries for differential systems. Extensions to the theory have also been suggested for the third method and which generalise the first method to systems of differential equations. Finally, a number of approximate symmetries and corresponding solutions are compared with results in the literature.

Development and evaluation of a hybrid averaged orbit generator

NASA Technical Reports Server (NTRS)

Mcclain, W. D.; Long, A. C.; Early, L. W.

1978-01-01

A rapid orbit generator based on a first-order application of the Generalized Method of Averaging has been developed for the Research and Development (R&D) version of the Goddard Trajectory Determination System (GTDS). The evaluation of the averaged equations of motion can use both numerically averaged and recursively evaluated, analytically averaged perturbation models. These equations are numerically integrated to obtain the secular and long-period motion. Factors affecting efficient orbit prediction are discussed and guidelines are presented for treatment of each major perturbation. Guidelines for obtaining initial mean elements compatible with the theory are presented. An overview of the orbit generator is presented and comparisons with high precision methods are given.

Quasinormal modes of the BTZ black hole under scalar perturbations with a non-minimal coupling: exact spectrum

NASA Astrophysics Data System (ADS)

Panotopoulos, Grigoris

2018-06-01

We perturb the non-rotating BTZ black hole with a non-minimally coupled massless scalar field, and we compute the quasinormal spectrum exactly. We solve the radial equation in terms of hypergeometric functions, and we obtain an analytical expression for the quasinormal frequencies. In addition, we compare our analytical results with the 6th order semi-analytical WKB method, and we find an excellent agreement. The impact of the nonminimal coupling as well as of the cosmological constant on the quasinormal spectrum is briefly discussed.

Single-Inclusive Jet Production In Electron-Nucleon Collisions Through Next-To-Next-To-Leading Order In Perturbative QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abelof, Gabriel; Boughezal, Radja; Liu, Xiaohui

2016-10-17

We compute the Oσ 2σ 2 s perturbative corrections to inclusive jet production in electron-nucleon collisions. This process is of particular interest to the physics program of a future Electron Ion Collider (EIC). We include all relevant partonic processes, including deep-inelastic scattering contributions, photon-initiated corrections, and parton-parton scattering terms that first appear at this order. Upon integration over the final-state hadronic phase space we validate our results for the deep-inelastic corrections against the known next-to-next-to-leading order (NNLO) structure functions. Our calculation uses the N-jettiness subtraction scheme for performing higher-order computations, and allows for a completely differential description of the deep-inelasticmore » scattering process. We describe the application of this method to inclusive jet production in detail, and present phenomenological results for the proposed EIC. The NNLO corrections have a non-trivial dependence on the jet kinematics and arise from an intricate interplay between all contributing partonic channels.« less

Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital method.

PubMed

Nagata, Takeshi; Fedorov, Dmitri G; Li, Hui; Kitaura, Kazuo

2012-05-28

A new energy expression is proposed for the fragment molecular orbital method interfaced with the polarizable continuum model (FMO/PCM). The solvation free energy is shown to be more accurate on a set of representative polypeptides with neutral and charged residues, in comparison to the original formulation at the same level of the many-body expansion of the electrostatic potential determining the apparent surface charges. The analytic first derivative of the energy with respect to nuclear coordinates is formulated at the second-order Møller-Plesset (MP2) perturbation theory level combined with PCM, for which we derived coupled perturbed Hartree-Fock equations. The accuracy of the analytic gradient is demonstrated on test calculations in comparison to numeric gradient. Geometry optimization of the small Trp-cage protein (PDB: 1L2Y) is performed with FMO/PCM/6-31(+)G(d) at the MP2 and restricted Hartree-Fock with empirical dispersion (RHF/D). The root mean square deviations between the FMO optimized and NMR experimental structure are found to be 0.414 and 0.426 Å for RHF/D and MP2, respectively. The details of the hydrogen bond network in the Trp-cage protein are revealed.

Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital method

NASA Astrophysics Data System (ADS)

Nagata, Takeshi; Fedorov, Dmitri G.; Li, Hui; Kitaura, Kazuo

2012-05-01

A new energy expression is proposed for the fragment molecular orbital method interfaced with the polarizable continuum model (FMO/PCM). The solvation free energy is shown to be more accurate on a set of representative polypeptides with neutral and charged residues, in comparison to the original formulation at the same level of the many-body expansion of the electrostatic potential determining the apparent surface charges. The analytic first derivative of the energy with respect to nuclear coordinates is formulated at the second-order Møller-Plesset (MP2) perturbation theory level combined with PCM, for which we derived coupled perturbed Hartree-Fock equations. The accuracy of the analytic gradient is demonstrated on test calculations in comparison to numeric gradient. Geometry optimization of the small Trp-cage protein (PDB: 1L2Y) is performed with FMO/PCM/6-31(+)G(d) at the MP2 and restricted Hartree-Fock with empirical dispersion (RHF/D). The root mean square deviations between the FMO optimized and NMR experimental structure are found to be 0.414 and 0.426 Å for RHF/D and MP2, respectively. The details of the hydrogen bond network in the Trp-cage protein are revealed.

Ab initio calculation of the rotational spectrum of methane vibrational ground state

NASA Astrophysics Data System (ADS)

Cassam-Chenaï, P.; Liévin, J.

2012-05-01

In a previous article we have introduced an alternative perturbation scheme to the traditional one starting from the harmonic oscillator, rigid rotator Hamiltonian, to find approximate solutions of the spectral problem for rotation-vibration molecular Hamiltonians. The convergence of our method for the methane vibrational ground state rotational energy levels was quicker than that of the traditional method, as expected, and our predictions were quantitative. In this second article, we study the convergence of the ab initio calculation of effective dipole moments for methane within the same theoretical frame. The first order of perturbation when applied to the electric dipole moment operator of a spherical top gives the expression used in previous spectroscopic studies. Higher orders of perturbation give corrections corresponding to higher centrifugal distortion contributions and are calculated accurately for the first time. Two potential energy surfaces of the literature have been used for solving the anharmonic vibrational problem by means of the vibrational mean field configuration interaction approach. Two corresponding dipole moment surfaces were calculated in this work at a high level of theory. The predicted intensities agree better with recent experimental values than their empirical fit. This suggests that our ab initio dipole moment surface and effective dipole moment operator are both highly accurate.

Induced Angular Momentum

ERIC Educational Resources Information Center

Parker, G. W.

1978-01-01

Discusses, classically and quantum mechanically, the angular momentum induced in the bound motion of an electron by an external magnetic field. Calculates the current density and its magnetic moment, and then uses two methods to solve the first-order perturbation theory equation for the required eigenfunction. (Author/GA)

Dressed soliton in quantum dusty pair-ion plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chatterjee, Prasanta; Muniandy, S. V.; Wong, C. S.

Nonlinear propagation of a quantum ion-acoustic dressed soliton is studied in a dusty pair-ion plasma. The Korteweg-de Vries (KdV) equation is derived using reductive perturbation technique. A higher order inhomogeneous differential equation is obtained for the higher order correction. The expression for a dressed soliton is calculated using a renormalization method. The expressions for higher order correction are determined using a series solution technique developed by Chatterjee et al. [Phys. Plasmas 16, 072102 (2009)].

A Perturbation Analysis of Harmonics Generation from Saturated Elements in Power Systems

NASA Astrophysics Data System (ADS)

Kumano, Teruhisa

Nonlinear phenomena such as saturation in magnetic flux give considerable effects in power system analysis. It is reported that a failure in a real 500kV system triggered islanding operation, where resultant even harmonics caused malfunctions in protective relays. It is also reported that the major origin of this wave distortion is nothing but unidirectional magnetization of the transformer iron core. Time simulation is widely used today to analyze this type of phenomena, but it has basically two shortcomings. One is that the time simulation takes two much computing time in the vicinity of inflection points in the saturation characteristic curve because certain iterative procedure such as N-R (Newton-Raphson) should be used and such methods tend to be caught in an ill conditioned numerical hunting. The other is that such simulation methods sometimes do not help intuitive understanding of the studied phenomenon because the whole nonlinear equations are treated in a matrix form and not properly divided into understandable parts as done in linear systems. This paper proposes a new computation scheme which is based on so called perturbation method. Magnetic saturation in iron cores in a generator and a transformer are taken into account. The proposed method has a special feature against the first shortcoming of the N-R based time simulation method stated above. In the proposed method no iterative process is used to reduce the equation residue but uses perturbation series, which means free from the ill condition problem. Users have only to calculate each perturbation terms one by one until he reaches necessary accuracy. In a numerical example treated in the present paper the first order perturbation can make reasonably high accuracy, which means very fast computing. In numerical study three nonlinear elements are considered. Calculated results are almost identical to the conventional Newton-Raphson based time simulation, which shows the validity of the method. The proposed method would be effectively used in a screening where many case studies are needed.

Perturbational formulation of principal component analysis in molecular dynamics simulation.

PubMed

Koyama, Yohei M; Kobayashi, Tetsuya J; Tomoda, Shuji; Ueda, Hiroki R

2008-10-01

Conformational fluctuations of a molecule are important to its function since such intrinsic fluctuations enable the molecule to respond to the external environmental perturbations. For extracting large conformational fluctuations, which predict the primary conformational change by the perturbation, principal component analysis (PCA) has been used in molecular dynamics simulations. However, several versions of PCA, such as Cartesian coordinate PCA and dihedral angle PCA (dPCA), are limited to use with molecules with a single dominant state or proteins where the dihedral angle represents an important internal coordinate. Other PCAs with general applicability, such as the PCA using pairwise atomic distances, do not represent the physical meaning clearly. Therefore, a formulation that provides general applicability and clearly represents the physical meaning is yet to be developed. For developing such a formulation, we consider the conformational distribution change by the perturbation with arbitrary linearly independent perturbation functions. Within the second order approximation of the Kullback-Leibler divergence by the perturbation, the PCA can be naturally interpreted as a method for (1) decomposing a given perturbation into perturbations that independently contribute to the conformational distribution change or (2) successively finding the perturbation that induces the largest conformational distribution change. In this perturbational formulation of PCA, (i) the eigenvalue measures the Kullback-Leibler divergence from the unperturbed to perturbed distributions, (ii) the eigenvector identifies the combination of the perturbation functions, and (iii) the principal component determines the probability change induced by the perturbation. Based on this formulation, we propose a PCA using potential energy terms, and we designate it as potential energy PCA (PEPCA). The PEPCA provides both general applicability and clear physical meaning. For demonstrating its power, we apply the PEPCA to an alanine dipeptide molecule in vacuum as a minimal model of a nonsingle dominant conformational biomolecule. The first and second principal components clearly characterize two stable states and the transition state between them. Positive and negative components with larger absolute values of the first and second eigenvectors identify the electrostatic interactions, which stabilize or destabilize each stable state and the transition state. Our result therefore indicates that PCA can be applied, by carefully selecting the perturbation functions, not only to identify the molecular conformational fluctuation but also to predict the conformational distribution change by the perturbation beyond the limitation of the previous methods.

Perturbational formulation of principal component analysis in molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Koyama, Yohei M.; Kobayashi, Tetsuya J.; Tomoda, Shuji; Ueda, Hiroki R.

2008-10-01

Conformational fluctuations of a molecule are important to its function since such intrinsic fluctuations enable the molecule to respond to the external environmental perturbations. For extracting large conformational fluctuations, which predict the primary conformational change by the perturbation, principal component analysis (PCA) has been used in molecular dynamics simulations. However, several versions of PCA, such as Cartesian coordinate PCA and dihedral angle PCA (dPCA), are limited to use with molecules with a single dominant state or proteins where the dihedral angle represents an important internal coordinate. Other PCAs with general applicability, such as the PCA using pairwise atomic distances, do not represent the physical meaning clearly. Therefore, a formulation that provides general applicability and clearly represents the physical meaning is yet to be developed. For developing such a formulation, we consider the conformational distribution change by the perturbation with arbitrary linearly independent perturbation functions. Within the second order approximation of the Kullback-Leibler divergence by the perturbation, the PCA can be naturally interpreted as a method for (1) decomposing a given perturbation into perturbations that independently contribute to the conformational distribution change or (2) successively finding the perturbation that induces the largest conformational distribution change. In this perturbational formulation of PCA, (i) the eigenvalue measures the Kullback-Leibler divergence from the unperturbed to perturbed distributions, (ii) the eigenvector identifies the combination of the perturbation functions, and (iii) the principal component determines the probability change induced by the perturbation. Based on this formulation, we propose a PCA using potential energy terms, and we designate it as potential energy PCA (PEPCA). The PEPCA provides both general applicability and clear physical meaning. For demonstrating its power, we apply the PEPCA to an alanine dipeptide molecule in vacuum as a minimal model of a nonsingle dominant conformational biomolecule. The first and second principal components clearly characterize two stable states and the transition state between them. Positive and negative components with larger absolute values of the first and second eigenvectors identify the electrostatic interactions, which stabilize or destabilize each stable state and the transition state. Our result therefore indicates that PCA can be applied, by carefully selecting the perturbation functions, not only to identify the molecular conformational fluctuation but also to predict the conformational distribution change by the perturbation beyond the limitation of the previous methods.

Superiorization with level control

NASA Astrophysics Data System (ADS)

Cegielski, Andrzej; Al-Musallam, Fadhel

2017-04-01

The convex feasibility problem is to find a common point of a finite family of closed convex subsets. In many applications one requires something more, namely finding a common point of closed convex subsets which minimizes a continuous convex function. The latter requirement leads to an application of the superiorization methodology which is actually settled between methods for convex feasibility problem and the convex constrained minimization. Inspired by the superiorization idea we introduce a method which sequentially applies a long-step algorithm for a sequence of convex feasibility problems; the method employs quasi-nonexpansive operators as well as subgradient projections with level control and does not require evaluation of the metric projection. We replace a perturbation of the iterations (applied in the superiorization methodology) by a perturbation of the current level in minimizing the objective function. We consider the method in the Euclidean space in order to guarantee the strong convergence, although the method is well defined in a Hilbert space.

Asymptotic-induced numerical methods for conservation laws

NASA Technical Reports Server (NTRS)

Garbey, Marc; Scroggs, Jeffrey S.

1990-01-01

Asymptotic-induced methods are presented for the numerical solution of hyperbolic conservation laws with or without viscosity. The methods consist of multiple stages. The first stage is to obtain a first approximation by using a first-order method, such as the Godunov scheme. Subsequent stages of the method involve solving internal-layer problems identified by using techniques derived via asymptotics. Finally, a residual correction increases the accuracy of the scheme. The method is derived and justified with singular perturbation techniques.

Solving regularly and singularly perturbed reaction-diffusion equations in three space dimensions

NASA Astrophysics Data System (ADS)

Moore, Peter K.

2007-06-01

In [P.K. Moore, Effects of basis selection and h-refinement on error estimator reliability and solution efficiency for higher-order methods in three space dimensions, Int. J. Numer. Anal. Mod. 3 (2006) 21-51] a fixed, high-order h-refinement finite element algorithm, Href, was introduced for solving reaction-diffusion equations in three space dimensions. In this paper Href is coupled with continuation creating an automatic method for solving regularly and singularly perturbed reaction-diffusion equations. The simple quasilinear Newton solver of Moore, (2006) is replaced by the nonlinear solver NITSOL [M. Pernice, H.F. Walker, NITSOL: a Newton iterative solver for nonlinear systems, SIAM J. Sci. Comput. 19 (1998) 302-318]. Good initial guesses for the nonlinear solver are obtained using continuation in the small parameter ɛ. Two strategies allow adaptive selection of ɛ. The first depends on the rate of convergence of the nonlinear solver and the second implements backtracking in ɛ. Finally a simple method is used to select the initial ɛ. Several examples illustrate the effectiveness of the algorithm.

NLO perturbativity bounds on quartic couplings in renormalizable theories with Φ 4 -like scalar sectors

DOE PAGES

Murphy, Christopher W.

2017-08-17

The apparent breakdown of unitarity in low order perturbation theory is often is used to place bounds on the parameters of a theory. In this work we give an algorithm for approximately computing the next-to-leading order (NLO) perturbativity bounds on the quartic couplings of a renormalizable theory whose scalar sector is Φ 4 -like. And by this we mean theories where either there are no cubic scalar interactions, or the cubic couplings are related to the quartic couplings through spontaneous symmetry breaking. Furthermore, the quantity that tests where perturbation theory breaks down itself can be written as a perturbative series,more » and having the NLO terms allows one to test how well the series converges. We also present a simple example to illustrate the effect of considering these bounds at different orders in perturbation theory. For example, there is a noticeable difference in the viable parameter when the square of the NLO piece is included versus when it is not.« less

Approximate non-linear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-03-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-waves scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform (GRT). After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic non-linear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P-wave and S-wave information.

Approximate nonlinear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-07-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-wave scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform. After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic nonlinear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P- and S-wave information.

High-order tail in Schwarzschild spacetime

NASA Astrophysics Data System (ADS)

Casals, Marc; Ottewill, Adrian

2015-12-01

We present an analysis of the behavior at late times of linear field perturbations of a Schwarzschild black hole spacetime. In particular, we give explicit analytic expressions for the field perturbations (for a specific ℓ-multipole) of general spin up to the first four orders at late times. These expressions are valid at arbitrary radius and include, apart from the well-known power-law tail decay at leading order (˜t-2 ℓ-3), a new logarithmic behavior at third leading order (˜t-2 ℓ-5ln t ). We obtain these late-time results by developing an analytical formalism initially formulated by Mano, Suzuki and Takasugi (MST) [Prog. Theor. Phys. 95, 1079 (1996); 96, 549 (1996)] formalism and by expanding the various MST Fourier-mode quantities for small frequency. While we give explicit expansions up to the first four leading orders (for small frequency for the Fourier modes, for late time for the field perturbation), we give a prescription for obtaining expressions to arbitrary order within a "perturbative regime."

A Green's function method for high charge and energy ion transport.

PubMed

Chun, S Y; Khandelwal, G S; Wilson, J W

1996-02-01

A heavy-ion transport code using Green's function methods is developed. The low-order perturbation terms exhibiting the greatest energy variation are used as dominant energy-dependent terms, and the higher order collision terms are evaluated using nonperturbative methods. The recently revised NUCFRG database is used to evaluate the solution for comparison with experimental data for 625A MeV 20Ne and 517A MeV 40Ar ion beams. Improved agreements with the attenuation characteristics for neon ions are found, and reasonable agreement is obtained for the transport of argon ions in water.

Numerical Analysis of Orbital Perturbation Effects on Inclined Geosynchronous SAR

PubMed Central

Dong, Xichao; Hu, Cheng; Long, Teng; Li, Yuanhao

2016-01-01

The geosynchronous synthetic aperture radar (GEO SAR) is susceptible to orbit perturbations, leading to orbit drifts and variations. The influences behave very differently from those in low Earth orbit (LEO) SAR. In this paper, the impacts of perturbations on GEO SAR orbital elements are modelled based on the perturbed dynamic equations, and then, the focusing is analyzed theoretically and numerically by using the Systems Tool Kit (STK) software. The accurate GEO SAR slant range histories can be calculated according to the perturbed orbit positions in STK. The perturbed slant range errors are mainly the first and second derivatives, leading to image drifts and defocusing. Simulations of the point target imaging are performed to validate the aforementioned analysis. In the GEO SAR with an inclination of 53° and an argument of perigee of 90°, the Doppler parameters and the integration time are different and dependent on the geometry configurations. Thus, the influences are varying at different orbit positions: at the equator, the first-order phase errors should be mainly considered; at the perigee and apogee, the second-order phase errors should be mainly considered; at other positions, first-order and second-order exist simultaneously. PMID:27598168

An exact solution of the van der Waals interaction between two ground-state hydrogen atoms

NASA Astrophysics Data System (ADS)

Koga, Toshikatsu; Matsumoto, Shinya

1985-06-01

A momentum space treatment shows that perturbation equations for the H(1s)-H(1s) van der Waals interaction can be exactly solved in their Schrödinger forms without invoking any variational methods. Using the Fock transformation, which projects the momentum vector of an electron from the three-dimensional hyperplane onto the four-dimensional hypersphere, we solve the third order integral-type perturbation equation with respect to the reciprocal of the internuclear distance R. An exact third order wave function is found as a linear combination of infinite number of four-dimensional spherical harmonics. The result allows us to evaluate the exact dispersion energy E6R-6, which is completely determined by the first three coefficients of the above linear combination.

Excitation of the hydrogen atom by fast-electron impact in the presence of a laser field

NASA Astrophysics Data System (ADS)

Bhattacharya, Manabesh; Sinha, C.; Sil, N. C.

1991-08-01

An approach has been developed to study the excitation of a ground-state H atom to the n=2 level under the simultaneous action of fast-electron impact and a monochromatic, linearly polarized, homogeneous laser beam. The laser frequency is assumed to be low (soft-photon limit) so that a stationary-state perturbation theory can be applied as is done in the adiabatic theory. An elegant method has been developed in the present work to construct the dressed excited-state wave functions of the H atom using first-order perturbation theory in the parabolic coordinate representation. By virtue of this method, the problem arising due to the degeneracy of the excited states of the H atom has been successfully overcome. The main advantage of the present approach is that the dressed wave function has been obtained in terms of a finite number of Laguerre polynomials instead of an infinite summation occurring in the usual perturbative treatment. The amplitude for direct excitation (without exchange) has been obtained in closed form. Numerical results for differential cross sections are presented for individual excitations to different Stark manifolds as well as for excitations to the n=2 level at high energies (100 and 200 eV) and for field directions both parallel and perpendicular to the incident electron momentum. Extension to a higher order of perturbation is also possible in the present approach for the construction of the dressed states, and the electron-exchange effect can also be taken into account without any further approximation.

Driven similarity renormalization group: Third-order multireference perturbation theory

DOE PAGES

Li, Chenyang; Evangelista, Francesco A.

2017-03-28

Here, a third-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT3) approach is presented. The DSRG-MRPT3 method has several appealing features: (a) it is intruder free, (b) it is size consistent, (c) it leads to a non-iterative algorithm with O(N 6) scaling, and (d) it includes reference relaxation effects. The DSRG-MRPT3 scheme is benchmarked on the potential energy curves of F 2, H 2O 2, C 2H 6, and N 2 along the F–F, O–O, C–C, and N–N bond dissociation coordinates, respectively. The nonparallelism errors of DSRG-MRPT3 are consistent with those of complete active space third-order perturbationmore » theory and multireference configuration interaction with singles and doubles and show significant improvements over those obtained from DSRG second-order multireference perturbation theory. Our efficient implementation of the DSRG-MRPT3 based on factorized electron repulsion integrals enables studies of medium-sized open-shell organic compounds. This point is demonstrated with computations of the singlet-triplet splitting (Δ ST = E T–E S) of 9,10-anthracyne. At the DSRG-MRPT3 level of theory, our best estimate of the adiabatic Δ ST is 3.9 kcal mol –1, a value that is within 0.1 kcal mol –1 from multireference coupled cluster results.« less

Driven similarity renormalization group: Third-order multireference perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Chenyang; Evangelista, Francesco A.

Here, a third-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT3) approach is presented. The DSRG-MRPT3 method has several appealing features: (a) it is intruder free, (b) it is size consistent, (c) it leads to a non-iterative algorithm with O(N 6) scaling, and (d) it includes reference relaxation effects. The DSRG-MRPT3 scheme is benchmarked on the potential energy curves of F 2, H 2O 2, C 2H 6, and N 2 along the F–F, O–O, C–C, and N–N bond dissociation coordinates, respectively. The nonparallelism errors of DSRG-MRPT3 are consistent with those of complete active space third-order perturbationmore » theory and multireference configuration interaction with singles and doubles and show significant improvements over those obtained from DSRG second-order multireference perturbation theory. Our efficient implementation of the DSRG-MRPT3 based on factorized electron repulsion integrals enables studies of medium-sized open-shell organic compounds. This point is demonstrated with computations of the singlet-triplet splitting (Δ ST = E T–E S) of 9,10-anthracyne. At the DSRG-MRPT3 level of theory, our best estimate of the adiabatic Δ ST is 3.9 kcal mol –1, a value that is within 0.1 kcal mol –1 from multireference coupled cluster results.« less

Computational Aspects of Sensitivity Calculations in Linear Transient Structural Analysis. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Greene, William H.

1989-01-01

A study has been performed focusing on the calculation of sensitivities of displacements, velocities, accelerations, and stresses in linear, structural, transient response problems. One significant goal was to develop and evaluate sensitivity calculation techniques suitable for large-order finite element analyses. Accordingly, approximation vectors such as vibration mode shapes are used to reduce the dimensionality of the finite element model. Much of the research focused on the accuracy of both response quantities and sensitivities as a function of number of vectors used. Two types of sensitivity calculation techniques were developed and evaluated. The first type of technique is an overall finite difference method where the analysis is repeated for perturbed designs. The second type of technique is termed semianalytical because it involves direct, analytical differentiation of the equations of motion with finite difference approximation of the coefficient matrices. To be computationally practical in large-order problems, the overall finite difference methods must use the approximation vectors from the original design in the analyses of the perturbed models.

Stochastic, real-space, imaginary-time evaluation of third-order Feynman-Goldstone diagrams

NASA Astrophysics Data System (ADS)

Willow, Soohaeng Yoo; Hirata, So

2014-01-01

A new, alternative set of interpretation rules of Feynman-Goldstone diagrams for many-body perturbation theory is proposed, which translates diagrams into algebraic expressions suitable for direct Monte Carlo integrations. A vertex of a diagram is associated with a Coulomb interaction (rather than a two-electron integral) and an edge with the trace of a Green's function in real space and imaginary time. With these, 12 diagrams of third-order many-body perturbation (MP3) theory are converted into 20-dimensional integrals, which are then evaluated by a Monte Carlo method. It uses redundant walkers for convergence acceleration and a weight function for importance sampling in conjunction with the Metropolis algorithm. The resulting Monte Carlo MP3 method has low-rank polynomial size dependence of the operation cost, a negligible memory cost, and a naturally parallel computational kernel, while reproducing the correct correlation energies of small molecules within a few mEh after 106 Monte Carlo steps.

Quasinormal modes of black holes in Lovelock gravity

NASA Astrophysics Data System (ADS)

Yoshida, Daiske; Soda, Jiro

2016-02-01

We study quasinormal modes of black holes in Lovelock gravity. We formulate the WKB method adapted to Lovelock gravity for the calculation of quasinormal frequencies (QNFs). As a demonstration, we calculate various QNFs of Lovelock black holes in seven and eight dimensions. We find that the QNFs show remarkable features depending on the coefficients of the Lovelock terms, the species of perturbations, and spacetime dimensions. In the case of the scalar field, when we increase the coefficient of the third order Lovelock term, the real part of QNFs increases, but the decay rate becomes small irrespective of the mass of the black hole. For small black holes, the decay rate ceases to depend on the Gauss-Bonnet term. In the case of tensor type perturbations of the metric field, the tendency of the real part of QNFs is opposite to that of the scalar field. The QNFs of vector type perturbations of the metric show no particular behavior. The behavior of QNFs of the scalar type perturbations of the metric field is similar to the vector type. However, available data are rather sparse, which indicates that the WKB method is not applicable to many models for this sector.

Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs.

PubMed

Czyznikowska, Z; Góra, R W; Zaleśny, R; Lipkowski, P; Jarzembska, K N; Dominiak, P M; Leszczynski, J

2010-07-29

A set of nearly 100 crystallographic structures was analyzed using ab initio methods in order to verify the effect of the conformational variability of Watson-Crick guanine-cytosine and adenine-thymine base pairs on the intermolecular interaction energy and its components. Furthermore, for the representative structures, a potential energy scan of the structural parameters describing mutual orientation of the base pairs was carried out. The results were obtained using the hybrid variational-perturbational interaction energy decomposition scheme. The electron correlation effects were estimated by means of the second-order Møller-Plesset perturbation theory and coupled clusters with singles and doubles method adopting AUG-cc-pVDZ basis set. Moreover, the characteristics of hydrogen bonds in complexes, mimicking those appearing in B-DNA, were evaluated using topological analysis of the electron density. Although the first-order electrostatic energy is usually the largest stabilizing component, it is canceled out by the associated exchange repulsion in majority of the studied crystallographic structures. Therefore, the analyzed complexes of the nucleic acid bases appeared to be stabilized mainly by the delocalization component of the intermolecular interaction energy which, in terms of symmetry adapted perturbation theory, encompasses the second- and higher-order induction and exchange-induction terms. Furthermore, it was found that the dispersion contribution, albeit much smaller in terms of magnitude, is also a vital stabilizing factor. It was also revealed that the intermolecular interaction energy and its components are strongly influenced by four (out of six) structural parameters describing mutual orientation of bases in Watson-Crick pairs, namely shear, stagger, stretch, and opening. Finally, as a part of a model study, much of the effort was devoted to an extensive testing of the UBDB databank. It was shown that the databank quite successfully reproduces the electrostatic energy determined with the aid of ab initio methods.

Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?

PubMed

Pastore, Mariachiara; Helal, Wissam; Evangelisti, Stefano; Leininger, Thierry; Malrieu, Jean-Paul; Maynau, Daniel; Angeli, Celestino; Cimiraglia, Renzo

2008-05-07

In this paper, the problem of the calculation of the electronic structure of mixed-valence compounds is addressed in the frame of multireference perturbation theory (MRPT). Using a simple mixed-valence compound (the 5,5(') (4H,4H('))-spirobi[ciclopenta[c]pyrrole] 2,2('),6,6(') tetrahydro cation), and the n-electron valence state perturbation theory (NEVPT2) and CASPT2 approaches, it is shown that the ground state (GS) energy curve presents an unphysical "well" for nuclear coordinates close to the symmetric case, where a maximum is expected. For NEVPT, the correct shape of the energy curve is retrieved by applying the MPRT at the (computationally expensive) third order. This behavior is rationalized using a simple model (the ionized GS of two weakly interacting identical systems, each neutral system being described by two electrons in two orbitals), showing that the unphysical well is due to the canonical orbital energies which at the symmetric (delocalized) conformation lead to a sudden modification of the denominators in the perturbation expansion. In this model, the bias introduced in the second order correction to the energy is almost entirely removed going to the third order. With the results of the model in mind, one can predict that all MRPT methods in which the zero order Hamiltonian is based on canonical orbital energies are prone to present unreasonable energy profiles close to the symmetric situation. However, the model allows a strategy to be devised which can give a correct behavior even at the second order, by simply averaging the orbital energies of the two charge-localized electronic states. Such a strategy is adopted in a NEVPT2 scheme obtaining a good agreement with the third order results based on the canonical orbital energies. The answer to the question reported in the title (is this theoretical approach a reliable tool for a correct description of these systems?) is therefore positive, but care must be exercised, either in defining the orbital energies or by resorting to the third order using for them the standard definition.

The time-resolved photoelectron spectrum of toluene using a perturbation theory approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Richings, Gareth W.; Worth, Graham A., E-mail: g.a.worth@bham.ac.uk

A theoretical study of the intra-molecular vibrational-energy redistribution of toluene using time-resolved photo-electron spectra calculated using nuclear quantum dynamics and a simple, two-mode model is presented. Calculations have been carried out using the multi-configuration time-dependent Hartree method, using three levels of approximation for the calculation of the spectra. The first is a full quantum dynamics simulation with a discretisation of the continuum wavefunction of the ejected electron, whilst the second uses first-order perturbation theory to calculate the wavefunction of the ion. Both methods rely on the explicit inclusion of both the pump and probe laser pulses. The third method includesmore » only the pump pulse and generates the photo-electron spectrum by projection of the pumped wavepacket onto the ion potential energy surface, followed by evaluation of the Fourier transform of the autocorrelation function of the subsequently propagated wavepacket. The calculations performed have been used to study the periodic population flow between the 6a and 10b16b modes in the S{sub 1} excited state, and compared to recent experimental data. We obtain results in excellent agreement with the experiment and note the efficiency of the perturbation method.« less

Quasi-degenerate perturbation theory using matrix product states

NASA Astrophysics Data System (ADS)

Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali

2016-01-01

In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner's 2n + 1 rule. Further, our formulation satisfies Granovsky's requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost.

A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: theory, implementation, and examples.

PubMed

Dutta, Achintya Kumar; Vaval, Nayana; Pal, Sourav

2015-01-28

We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N(6) does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base.

Generation of dense plume fingers in saturated-unsaturated homogeneous porous media

NASA Astrophysics Data System (ADS)

Cremer, Clemens J. M.; Graf, Thomas

2015-02-01

Flow under variable-density conditions is widespread, occurring in geothermal reservoirs, at waste disposal sites or due to saltwater intrusion. The migration of dense plumes typically results in the formation of vertical plume fingers which are known to be triggered by material heterogeneity or by variations in source concentration that causes the density variation. Using a numerical groundwater model, six perturbation methods are tested under saturated and unsaturated flow conditions to mimic heterogeneity and concentration variations on the pore scale in order to realistically generate dense fingers. A laboratory-scale sand tank experiment is numerically simulated, and the perturbation methods are evaluated by comparing plume fingers obtained from the laboratory experiment with numerically simulated fingers. Dense plume fingering for saturated flow can best be reproduced with a spatially random, time-constant perturbation of the solute source. For unsaturated flow, a spatially and temporally random noise of solute concentration or a random conductivity field adequately simulate plume fingering.

Non-hard sphere thermodynamic perturbation theory.

PubMed

Zhou, Shiqi

2011-08-21

A non-hard sphere (HS) perturbation scheme, recently advanced by the present author, is elaborated for several technical matters, which are key mathematical details for implementation of the non-HS perturbation scheme in a coupling parameter expansion (CPE) thermodynamic perturbation framework. NVT-Monte Carlo simulation is carried out for a generalized Lennard-Jones (LJ) 2n-n potential to obtain routine thermodynamic quantities such as excess internal energy, pressure, excess chemical potential, excess Helmholtz free energy, and excess constant volume heat capacity. Then, these new simulation data, and available simulation data in literatures about a hard core attractive Yukawa fluid and a Sutherland fluid, are used to test the non-HS CPE 3rd-order thermodynamic perturbation theory (TPT) and give a comparison between the non-HS CPE 3rd-order TPT and other theoretical approaches. It is indicated that the non-HS CPE 3rd-order TPT is superior to other traditional TPT such as van der Waals/HS (vdW/HS), perturbation theory 2 (PT2)/HS, and vdW/Yukawa (vdW/Y) theory or analytical equation of state such as mean spherical approximation (MSA)-equation of state and is at least comparable to several currently the most accurate Ornstein-Zernike integral equation theories. It is discovered that three technical issues, i.e., opening up new bridge function approximation for the reference potential, choosing proper reference potential, and/or using proper thermodynamic route for calculation of f(ex-ref), chiefly decide the quality of the non-HS CPE TPT. Considering that the non-HS perturbation scheme applies for a wide variety of model fluids, and its implementation in the CPE thermodynamic perturbation framework is amenable to high-order truncation, the non-HS CPE 3rd-order or higher order TPT will be more promising once the above-mentioned three technological advances are established. © 2011 American Institute of Physics

A unified perturbation expansion for surface scattering

NASA Technical Reports Server (NTRS)

Rodriguez, Ernesto; Kim, Yunjin

1992-01-01

Starting with the extinction theorem, a perturbation expansion which, to first and second orders, converges over a wider domain than the small perturbation expansion and the momentum transfer expansion is presented. It is shown that, in the appropriate limits, both of these theories, as well as the two-scale expansion, are recovered. There is no adjustable parameter, such as a spectral split, in the theory. This theory is applied to random rough surfaces and derive analytic expressions for the coherent field and the bistatic cross section. Finally, a numerical test of the theory against method of moments results for Gaussian random rough surfaces with a power law spectrum is given. These results show that the expansion is ramarkably accurate over a large range of surface heights and slopes for both horizontal and vertical polarization.

Suppressing Transients In Digital Phase-Locked Loops

NASA Technical Reports Server (NTRS)

Thomas, J. B.

1993-01-01

Loop of arbitrary order starts in steady-state lock. Method for initializing variables of digital phase-locked loop reduces or eliminates transients in phase and frequency typically occurring during acquisition of lock on signal or when changes made in values of loop-filter parameters called "loop constants". Enables direct acquisition by third-order loop without prior acquisition by second-order loop of greater bandwidth, and eliminates those perturbations in phase and frequency lock occurring when loop constants changed by arbitrarily large amounts.

Validation of zero-order feedback strategies for medium range air-to-air interception in a horizontal plane

NASA Technical Reports Server (NTRS)

Shinar, J.

1982-01-01

A zero order feedback solution of a variable speed interception game between two aircraft in the horizontal plane, obtained by using the method of forced singular perturbation (FSP), is compared with the exact open loop solution. The comparison indicates that for initial distances of separation larger than eight turning radii of the evader, the accuracy of the feedback approximation is better than one percent. The result validates the zero order FSP approximation for medium range air combat analysis.

Perturbation analysis of the υ = 6 level in the d3Δ state of CS based on its near-infrared absorption spectrum.

PubMed

Li, Chuanliang; Deng, Lunhua; Zhang, Yan; Wu, Ling; Yang, Xiaohua; Chen, Yangqin

2011-04-14

The spectrum of CS was recorded in the region of 12,086-12,630 cm(-1) by employing optical heterodyne concentration modulation laser absorption spectroscopy. Nearly 350 transitions were assigned to the (6, 0) band in the d(3)Δ-a(3)Π system of CS. The overtone transitions of the (12, 0) band in the a(3)Π(2)-a(3)Π(0) transition were first observed due to the perturbation interaction between d(3)Δ(1) and a(3)Π(2). The Λ doubling in the a(3)Π(1) state was also resolved at high rotational levels. The molecular constants of the a(3)Π (υ = 0) and d(3)Δ (υ = 6) levels and the perturbation parameters of the d(3)Δ (υ = 6) level were determined through nonlinear least-squares fitting using effective hamiltonians. The calculations of mixing fractions of the perturbed states were performed in order to obtain precise information on the perturbations of the d(3)Δ (υ = 6) levels. The mechanisms for perturbations of d(3)Δ (υ = 6) with the a(3)Π (υ = 12) and A(1)Π (υ = 1) levels, especially for the second-order perturbation, were discussed and explained according to first-order nondegenerate perturbation theory.

Spectroscopy of the Schwarzschild black hole at arbitrary frequencies.

PubMed

Casals, Marc; Ottewill, Adrian

2012-09-14

Linear field perturbations of a black hole are described by the Green function of the wave equation that they obey. After Fourier decomposing the Green function, its two natural contributions are given by poles (quasinormal modes) and a largely unexplored branch cut in the complex frequency plane. We present new analytic methods for calculating the branch cut on a Schwarzschild black hole for arbitrary values of the frequency. The branch cut yields a power-law tail decay for late times in the response of a black hole to an initial perturbation. We determine explicitly the first three orders in the power-law and show that the branch cut also yields a new logarithmic behavior T(-2ℓ-5)lnT for late times. Before the tail sets in, the quasinormal modes dominate the black hole response. For electromagnetic perturbations, the quasinormal mode frequencies approach the branch cut at large overtone index n. We determine these frequencies up to n(-5/2) and, formally, to arbitrary order. Highly damped quasinormal modes are of particular interest in that they have been linked to quantum properties of black holes.

A High-Order Immersed Boundary Method for Acoustic Wave Scattering and Low-Mach Number Flow-Induced Sound in Complex Geometries

PubMed Central

Seo, Jung Hee; Mittal, Rajat

2010-01-01

A new sharp-interface immersed boundary method based approach for the computation of low-Mach number flow-induced sound around complex geometries is described. The underlying approach is based on a hydrodynamic/acoustic splitting technique where the incompressible flow is first computed using a second-order accurate immersed boundary solver. This is followed by the computation of sound using the linearized perturbed compressible equations (LPCE). The primary contribution of the current work is the development of a versatile, high-order accurate immersed boundary method for solving the LPCE in complex domains. This new method applies the boundary condition on the immersed boundary to a high-order by combining the ghost-cell approach with a weighted least-squares error method based on a high-order approximating polynomial. The method is validated for canonical acoustic wave scattering and flow-induced noise problems. Applications of this technique to relatively complex cases of practical interest are also presented. PMID:21318129

Interface conditions for domain decomposition with radical grid refinement

NASA Technical Reports Server (NTRS)

Scroggs, Jeffrey S.

1991-01-01

Interface conditions for coupling the domains in a physically motivated domain decomposition method are discussed. The domain decomposition is based on an asymptotic-induced method for the numerical solution of hyperbolic conservation laws with small viscosity. The method consists of multiple stages. The first stage is to obtain a first approximation using a first-order method, such as the Godunov scheme. Subsequent stages of the method involve solving internal-layer problem via a domain decomposition. The method is derived and justified via singular perturbation techniques.

Protein side chain rotational isomerization: A minimum perturbation mapping study

NASA Astrophysics Data System (ADS)

Haydock, Christopher

1993-05-01

A theory of the rotational isomerization of the indole side chain of tryptophan-47 of variant-3 scorpion neurotoxin is presented. The isomerization potential energy, entropic part of the isomerization free energy, isomer probabilities, transition state theory reaction rates, and indole order parameters are calculated from a minimum perturbation mapping over tryptophan-47 χ1×χ2 torsion space. A new method for calculating the fluorescence anisotropy from molecular dynamics simulations is proposed. The method is based on an expansion that separates transition dipole orientation from chromophore dynamics. The minimum perturbation potential energy map is inverted and applied as a bias potential for a 100 ns umbrella sampling simulation. The entropic part of the isomerization free energy as calculated by minimum perturbation mapping and umbrella sampling are in fairly close agreement. Throughout, the approximation is made that two glutamine and three tyrosine side chains neighboring tryptophan-47 are truncated at the Cβ atom. Comparison with the previous combination thermodynamic perturbation and umbrella sampling study suggests that this truncated neighbor side chain approximation leads to at least a qualitatively correct theory of tryptophan-47 rotational isomerization in the wild type variant-3 scorpion neurotoxin. Analysis of van der Waals interactions in a transition state region indicates that for the simulation of barrier crossing trajectories a linear combination of three specially defined dihedral angles will be superior to a simple side chain dihedral reaction coordinate.

τ hadronic spectral function moments in a nonpower QCD perturbation theory

NASA Astrophysics Data System (ADS)

Abbas, Gauhar; Ananthanarayan, B.; Caprini, I.; Fischer, J.

2016-04-01

The moments of the hadronic spectral functions are of interest for the extraction of the strong coupling and other QCD parameters from the hadronic decays of the τ lepton. We consider the perturbative behavior of these moments in the framework of a QCD nonpower perturbation theory, defined by the technique of series acceleration by conformal mappings, which simultaneously implements renormalization-group summation and has a tame large-order behavior. Two recently proposed models of the Adler function are employed to generate the higher order coefficients of the perturbation series and to predict the exact values of the moments, required for testing the properties of the perturbative expansions. We show that the contour-improved nonpower perturbation theories and the renormalization-group-summed nonpower perturbation theories have very good convergence properties for a large class of moments of the so-called ;reference model;, including moments that are poorly described by the standard expansions.

Effects of Gas Rarefaction on Dynamic Characteristics of Micro Spiral-Grooved Thrust Bearing.

PubMed

Liu, Ren; Wang, Xiao-Li; Zhang, Xiao-Qing

2012-04-01

The effects of gas-rarefaction on dynamic characteristics of micro spiral-grooved-thrust-bearing are studied. The Reynolds equation is modified by the first order slip model, and the corresponding perturbation equations are then obtained on the basis of the linear small perturbation method. In the converted spiral-curve-coordinates system, the finite-volume-method (FVM) is employed to discrete the surface domain of micro bearing. The results show, compared with the continuum-flow model, that under the slip-flow regime, the decrease in the pressure and stiffness become obvious with the increasing of the compressibility number. Moreover, with the decrease of the relative gas-film-thickness, the deviations of dynamic coefficients between slip-flow-model and continuum-flow-model are increasing.

Determination of Stable-Unstable Regions of the Slosh Motion in Spinning Space Vehicle by Perturbation Technique

NASA Astrophysics Data System (ADS)

Kang, Jai Young

2005-12-01

The objectives of this study are to perform extensive analysis on internal mass motion for a wider parameter space and to provide suitable design criteria for a broader applicability for the class of spinning space vehicles. In order to examine the stability criterion determined by a perturbation method, some numerical simulations will be performed and compared at various parameter points. In this paper, Ince-Strutt diagram for determination of stable-unstable regions of the internal mass motion of the spinning thrusting space vehicle in terms of design parameters will be obtained by an analytical method. Also, phase trajectories of the motion will be obtained for various parameter values and their characteristics are compared.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Weizhou, E-mail: wzw@lynu.edu.cn, E-mail: ybw@gzu.edu.cn; Zhang, Yu; Sun, Tao

High-level coupled cluster singles, doubles, and perturbative triples [CCSD(T)] computations with up to the aug-cc-pVQZ basis set (1924 basis functions) and various extrapolations toward the complete basis set (CBS) limit are presented for the sandwich, T-shaped, and parallel-displaced benzene⋯naphthalene complex. Using the CCSD(T)/CBS interaction energies as a benchmark, the performance of some newly developed wave function and density functional theory methods has been evaluated. The best performing methods were found to be the dispersion-corrected PBE0 functional (PBE0-D3) and spin-component scaled zeroth-order symmetry-adapted perturbation theory (SCS-SAPT0). The success of SCS-SAPT0 is very encouraging because it provides one method for energy componentmore » analysis of π-stacked complexes with 200 atoms or more. Most newly developed methods do, however, overestimate the interaction energies. The results of energy component analysis show that interaction energies are overestimated mainly due to the overestimation of dispersion energy.« less

Design and Evaluation of a new mechatronic platform for assessment and prevention of fall risks

PubMed Central

2012-01-01

Background Studying the responses in human behaviour to external perturbations during daily motor tasks is of key importance for understanding mechanisms of balance control and for investigating the functional response of targeted subjects. Experimental platforms as far developed entail a low number of perturbations and, only in few cases, have been designed to measure variables used at run time to trigger events during a certain motor task. Methods This work introduces a new mechatronic device, named SENLY, that provides balance perturbations while subjects carry out daily motor tasks (e.g., walking, upright stance). SENLY mainly consists of two independently-controlled treadmills that destabilize balance by suddenly perturbing belts movements in the horizontal plane. It is also provided with force sensors, which can be used at run time to estimate the ground reaction forces and identify events along the gait cycle in order to trigger the platform perturbation. The paper also describes the customized procedures adopted to calibrate the platform and the first testing trials aimed at evaluating its performance. Results SENLY allows to measure both vertical ground reaction forces and their related location more precisely and more accurately than other platforms of the same size. Moreover, the platform kinematic and kinetic performance meets all required specifications, with a negligible influence of the instrumental noise. Conclusion A new perturbing platform able to reproduce different slipping paradigms while measuring GRFs at run time in order to enable the asynchronous triggering during the gait cycle was designed and developed. Calibration procedures and pilot tests show that SENLY allows to suitably estimate dynamical features of the load and to standardize experimental sessions, improving the efficacy of functional analysis. PMID:22838638

The renormalization scale-setting problem in QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Xing-Gang; Brodsky, Stanley J.; Mojaza, Matin

2013-09-01

A key problem in making precise perturbative QCD predictions is to set the proper renormalization scale of the running coupling. The conventional scale-setting procedure assigns an arbitrary range and an arbitrary systematic error to fixed-order pQCD predictions. In fact, this ad hoc procedure gives results which depend on the choice of the renormalization scheme, and it is in conflict with the standard scale-setting procedure used in QED. Predictions for physical results should be independent of the choice of the scheme or other theoretical conventions. We review current ideas and points of view on how to deal with the renormalization scalemore » ambiguity and show how to obtain renormalization scheme- and scale-independent estimates. We begin by introducing the renormalization group (RG) equation and an extended version, which expresses the invariance of physical observables under both the renormalization scheme and scale-parameter transformations. The RG equation provides a convenient way for estimating the scheme- and scale-dependence of a physical process. We then discuss self-consistency requirements of the RG equations, such as reflexivity, symmetry, and transitivity, which must be satisfied by a scale-setting method. Four typical scale setting methods suggested in the literature, i.e., the Fastest Apparent Convergence (FAC) criterion, the Principle of Minimum Sensitivity (PMS), the Brodsky–Lepage–Mackenzie method (BLM), and the Principle of Maximum Conformality (PMC), are introduced. Basic properties and their applications are discussed. We pay particular attention to the PMC, which satisfies all of the requirements of RG invariance. Using the PMC, all non-conformal terms associated with the β-function in the perturbative series are summed into the running coupling, and one obtains a unique, scale-fixed, scheme-independent prediction at any finite order. The PMC provides the principle underlying the BLM method, since it gives the general rule for extending BLM up to any perturbative order; in fact, they are equivalent to each other through the PMC–BLM correspondence principle. Thus, all the features previously observed in the BLM literature are also adaptable to the PMC. The PMC scales and the resulting finite-order PMC predictions are to high accuracy independent of the choice of the initial renormalization scale, and thus consistent with RG invariance. The PMC is also consistent with the renormalization scale-setting procedure for QED in the zero-color limit. The use of the PMC thus eliminates a serious systematic scale error in perturbative QCD predictions, greatly improving the precision of empirical tests of the Standard Model and their sensitivity to new physics.« less

The scaling of weak field phase-only control in Markovian dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Am-Shallem, Morag; Kosloff, Ronnie

We consider population transfer in open quantum systems, which are described by quantum dynamical semigroups (QDS). Using second order perturbation theory of the Lindblad equation, we show that it depends on a weak external field only through the field's autocorrelation function, which is phase independent. Therefore, for leading order in perturbation, QDS cannot support dependence of the population transfer on the phase properties of weak fields. We examine an example of weak-field phase-dependent population transfer, and show that the phase-dependence comes from the next order in the perturbation.

A unitary convolution approximation for the impact-parameter dependent electronic energy loss

NASA Astrophysics Data System (ADS)

Schiwietz, G.; Grande, P. L.

1999-06-01

In this work, we propose a simple method to calculate the impact-parameter dependence of the electronic energy loss of bare ions for all impact parameters. This perturbative convolution approximation (PCA) is based on first-order perturbation theory, and thus, it is only valid for fast particles with low projectile charges. Using Bloch's stopping-power result and a simple scaling, we get rid of the restriction to low charge states and derive the unitary convolution approximation (UCA). Results of the UCA are then compared with full quantum-mechanical coupled-channel calculations for the impact-parameter dependent electronic energy loss.

Self-consistent-field perturbation theory for the Schröautdinger equation

NASA Astrophysics Data System (ADS)

Goodson, David Z.

1997-06-01

A method is developed for using large-order perturbation theory to solve the systems of coupled differential equations that result from the variational solution of the Schröautdinger equation with wave functions of product form. This is a noniterative, computationally efficient way to solve self-consistent-field (SCF) equations. Possible applications include electronic structure calculations using products of functions of collective coordinates that include electron correlation, vibrational SCF calculations for coupled anharmonic oscillators with selective coupling of normal modes, and ab initio calculations of molecular vibration spectra without the Born-Oppenheimer approximation.

Resummed memory kernels in generalized system-bath master equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mavros, Michael G.; Van Voorhis, Troy, E-mail: tvan@mit.edu

2014-08-07

Generalized master equations provide a concise formalism for studying reduced population dynamics. Usually, these master equations require a perturbative expansion of the memory kernels governing the dynamics; in order to prevent divergences, these expansions must be resummed. Resummation techniques of perturbation series are ubiquitous in physics, but they have not been readily studied for the time-dependent memory kernels used in generalized master equations. In this paper, we present a comparison of different resummation techniques for such memory kernels up to fourth order. We study specifically the spin-boson Hamiltonian as a model system bath Hamiltonian, treating the diabatic coupling between themore » two states as a perturbation. A novel derivation of the fourth-order memory kernel for the spin-boson problem is presented; then, the second- and fourth-order kernels are evaluated numerically for a variety of spin-boson parameter regimes. We find that resumming the kernels through fourth order using a Padé approximant results in divergent populations in the strong electronic coupling regime due to a singularity introduced by the nature of the resummation, and thus recommend a non-divergent exponential resummation (the “Landau-Zener resummation” of previous work). The inclusion of fourth-order effects in a Landau-Zener-resummed kernel is shown to improve both the dephasing rate and the obedience of detailed balance over simpler prescriptions like the non-interacting blip approximation, showing a relatively quick convergence on the exact answer. The results suggest that including higher-order contributions to the memory kernel of a generalized master equation and performing an appropriate resummation can provide a numerically-exact solution to system-bath dynamics for a general spectral density, opening the way to a new class of methods for treating system-bath dynamics.« less

Renormalization Group for nonlinear oscillators in the absence of linear restoring force

NASA Astrophysics Data System (ADS)

Sarkar, A.; Bhattacharjee, J. K.

2010-09-01

Perturbative Renormalization Group (RG) has been very useful in probing periodic orbits in two-dimensional dynamical systems (Sarkar A., Bhattacharjee J. K., Chakraborty S. and Banerjee D., arXiv:1005.2858v1 (2010)). The method relies on finding a linear center, around which perturbation analysis is done. However it is not obvious as to how systems devoid of any linear terms may be approached using this method. We propose here how RG can be done even in the absence of linear terms. We successfully apply the method to extract correct results for a variant of the second-order Riccati equation. In this variant the periodic orbit disappears as a parameter is varied. Our RG captures this disappearance correctly. We have also applied the technique successfully on the force-free Van der Pol-Duffing oscillator.

Modulational instability and dynamics of implicit higher-order rogue wave solutions for the Kundu equation

NASA Astrophysics Data System (ADS)

Wen, Xiao-Yong; Zhang, Guoqiang

2018-01-01

Under investigation in this paper is the Kundu equation, which may be used to describe the propagation process of ultrashort optical pulses in nonlinear optics. The modulational instability of the plane-wave for the possible reason of the formation of the rogue wave (RW) is studied for the system. Based on our proposed generalized perturbation (n,N - n)-fold Darboux transformation (DT), some new higher-order implicit RW solutions in terms of determinants are obtained by means of the generalized perturbation (1,N - 1)-fold DT, when choosing different special parameters, these results will reduce to the RW solutions of the Kaup-Newell (KN) equation, Chen-Lee-Liu (CLL) equation and Gerjikov-Ivanov (GI) equation, respectively. The relevant wave structures are shown graphically, which display abundant interesting wave structures. The dynamical behaviors and propagation stability of the first-order and second-order RW solutions are discussed by using numerical simulations, the higher-order nonlinear terms for the Kundu equation have an impact on the propagation instability of the RW. The method can also be extended to find the higher-order RW or rational solutions of other integrable nonlinear equations.

Compact perturbative expressions for neutrino oscillations in matter

DOE PAGES

Denton, Peter B.; Minakata, Hisakazu; Parke, Stephen J.

2016-06-08

We further develop and extend a recent perturbative framework for neutrino oscillations in uniform matter density so that the resulting oscillation probabilities are accurate for the complete matter potential versus baseline divided by neutrino energy plane. This extension also gives the exact oscillation probabilities in vacuum for all values of baseline divided by neutrino energy. The expansion parameter used is related to the ratio of the solar to the atmosphericmore » $$\\Delta m^2$$ scales but with a unique choice of the atmospheric $$\\Delta m^2$$ such that certain first-order effects are taken into account in the zeroth-order Hamiltonian. Using a mixing matrix formulation, this framework has the exceptional feature that the neutrino oscillation probability in matter has the same structure as in vacuum, to all orders in the expansion parameter. It also contains all orders in the matter potential and $$\\sin\\theta_{13}$$. It facilitates immediate physical interpretation of the analytic results, and makes the expressions for the neutrino oscillation probabilities extremely compact and very accurate even at zeroth order in our perturbative expansion. Furthermore, the first and second order results are also given which improve the precision by approximately two or more orders of magnitude per perturbative order.« less

Depletion Calculations Based on Perturbations. Application to the Study of a Rep-Like Assembly at Beginning of Cycle with TRIPOLI-4®.

NASA Astrophysics Data System (ADS)

Dieudonne, Cyril; Dumonteil, Eric; Malvagi, Fausto; M'Backé Diop, Cheikh

2014-06-01

For several years, Monte Carlo burnup/depletion codes have appeared, which couple Monte Carlo codes to simulate the neutron transport to deterministic methods, which handle the medium depletion due to the neutron flux. Solving Boltzmann and Bateman equations in such a way allows to track fine 3-dimensional effects and to get rid of multi-group hypotheses done by deterministic solvers. The counterpart is the prohibitive calculation time due to the Monte Carlo solver called at each time step. In this paper we present a methodology to avoid the repetitive and time-expensive Monte Carlo simulations, and to replace them by perturbation calculations: indeed the different burnup steps may be seen as perturbations of the isotopic concentration of an initial Monte Carlo simulation. In a first time we will present this method, and provide details on the perturbative technique used, namely the correlated sampling. In a second time the implementation of this method in the TRIPOLI-4® code will be discussed, as well as the precise calculation scheme a meme to bring important speed-up of the depletion calculation. Finally, this technique will be used to calculate the depletion of a REP-like assembly, studied at beginning of its cycle. After having validated the method with a reference calculation we will show that it can speed-up by nearly an order of magnitude standard Monte-Carlo depletion codes.

Secular motion around synchronously orbiting planetary satellites.

PubMed

Lara, Martin; San-Juan, Juan F; Ferrer, Sebastián

2005-12-01

We investigate the secular motion of a spacecraft around the natural satellite of a planet. The satellite rotates synchronously with its mean motion around the planet. Our model takes into account the gravitational potential of the satellite up to the second order, and the third-body perturbation in Hill's approximation. Close to the satellite, the ratio of rotation rate of the satellite to mean motion of the orbiter is small. When considering this ratio as a small parameter, the Coriolis effect is a first-order perturbation, while the third-body tidal attraction, the ellipticity effect, and the oblateness perturbation remain at higher orders. Then, we apply perturbation theory and find that a third-order approach is enough to show the influence of the satellite's ellipticity in the pericenter dynamics. Finally, we discuss the averaged system in the three-dimensional parametric space, and provide a global description of the flow.

Instability of black strings in the third-order Lovelock theory

NASA Astrophysics Data System (ADS)

Giacomini, Alex; Henríquez-Báez, Carla; Lagos, Marcela; Oliva, Julio; Vera, Aldo

2016-05-01

We show that homogeneous black strings of third-order Lovelock theory are unstable under s-wave perturbations. This analysis is done in dimension D =9 , which is the lowest dimension that allows the existence of homogeneous black strings in a theory that contains only the third-order Lovelock term in the Lagrangian. As is the case in general relativity, the instability is produced by long wavelength perturbations and it stands for the perturbative counterpart of a thermal instability. We also provide a comparative analysis of the instabilities of black strings at a fixed radius in general relativity, Gauss-Bonnet, and third-order Lovelock theories. We show that the minimum critical wavelength that triggers the instability grows with the power of the curvature defined in the Lagrangian. The maximum exponential growth during the time of the perturbation is the largest in general relativity and it decreases with the number of curvatures involved in the Lagrangian.

Unconventional minimal subtraction and Bogoliubov-Parasyuk-Hepp-Zimmermann method: Massive scalar theory and critical exponents

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carvalho, Paulo R. S.; Leite, Marcelo M.

2013-09-15

We introduce a simpler although unconventional minimal subtraction renormalization procedure in the case of a massive scalar λφ{sup 4} theory in Euclidean space using dimensional regularization. We show that this method is very similar to its counterpart in massless field theory. In particular, the choice of using the bare mass at higher perturbative order instead of employing its tree-level counterpart eliminates all tadpole insertions at that order. As an application, we compute diagrammatically the critical exponents η and ν at least up to two loops. We perform an explicit comparison with the Bogoliubov-Parasyuk-Hepp-Zimmermann (BPHZ) method at the same loop order,more » show that the proposed method requires fewer diagrams and establish a connection between the two approaches.« less

Perturbative two- and three-loop coefficients from large β Monte Carlo

NASA Astrophysics Data System (ADS)

Lepage, G. P.; Mackenzie, P. B.; Shakespeare, N. H.; Trottier, H. D.

Perturbative coefficients for Wilson loops and the static quark self-energy are extracted from Monte Carlo simulations at large β on finite volumes, where all the lattice momenta are large. The Monte Carlo results are in excellent agreement with perturbation theory through second order. New results for third order coefficients are reported. Twisted boundary conditions are used to eliminate zero modes and to suppress Z3 tunneling.

Perturbative two- and three-loop coefficients from large b Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

G.P. Lepage; P.B. Mackenzie; N.H. Shakespeare

1999-10-18

Perturbative coefficients for Wilson loops and the static quark self-energy are extracted from Monte Carlo simulations at large {beta} on finite volumes, where all the lattice momenta are large. The Monte Carlo results are in excellent agreement with perturbation theory through second order. New results for third order coefficients are reported. Twisted boundary conditions are used to eliminate zero modes and to suppress Z{sub 3} tunneling.

Cosmological perturbations in teleparallel Loop Quantum Cosmology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haro, Jaime, E-mail: jaime.haro@upc.edu

2013-11-01

Cosmological perturbations in Loop Quantum Cosmology (LQC) are usually studied incorporating either holonomy corrections, where the Ashtekar connection is replaced by a suitable sinus function in order to have a well-defined quantum analogue, or inverse-volume corrections coming from the eigenvalues of the inverse-volume operator. In this paper we will develop an alternative approach to calculate cosmological perturbations in LQC based on the fact that, holonomy corrected LQC in the flat Friedmann-Lemaître-Robertson-Walker (FLRW) geometry could be also obtained as a particular case of teleparallel F(T) gravity (teleparallel LQC). The main idea of our approach is to mix the simple bounce providedmore » by holonomy corrections in LQC with the non-singular perturbation equations given by F(T) gravity, in order to obtain a matter bounce scenario as a viable alternative to slow-roll inflation. In our study, we have obtained an scale invariant power spectrum of cosmological perturbations. However, the ratio of tensor to scalar perturbations is of order 1, which does not agree with the current observations. For this reason, we suggest a model where a transition from the matter domination to a quasi de Sitter phase is produced in order to enhance the scalar power spectrum.« less

Influence of stochastic perturbations on the cluster explosive synchronization of second-order Kuramoto oscillators on networks.

PubMed

Cao, Liang; Tian, Changhai; Wang, Zhenhua; Zhang, Xiyun; Liu, Zonghua

2018-02-01

Explosive synchronization in networked second-order Kuramoto oscillators has been well studied recently and it is revealed that the synchronization process is featured by cluster explosive synchronization. However, little attention has been paid to the influence of noise or perturbation. We here study this problem and discuss the influences of noise and perturbation. For the former, we interestingly find that noise has significant influence on the cluster explosive synchronization of those nodes with smaller degrees, i.e., their synchronization will change from the first-order to second-order transition and the critical points for both the forward and backward synchronization depend on the strength of noise. Especially, when the strength of noise is in an optimal range, a synchronization of the nodes with smaller degrees will be induced in the region of coupling strength where they do not display synchronization in the absence of noise. For the latter, we find that the effect of perturbation is similar to that of noise when its duration W is small. However, the perturbation will induce a change from cluster explosive synchronization to explosive synchronization when W is large. Furthermore, a brief theory is provided to explain the influence of perturbations on the critical points.

Numerical simulation for solution of space-time fractional telegraphs equations with local fractional derivatives via HAFSTM

NASA Astrophysics Data System (ADS)

Pandey, Rishi Kumar; Mishra, Hradyesh Kumar

2017-11-01

In this paper, the semi-analytic numerical technique for the solution of time-space fractional telegraph equation is applied. This numerical technique is based on coupling of the homotopy analysis method and sumudu transform. It shows the clear advantage with mess methods like finite difference method and also with polynomial methods similar to perturbation and Adomian decomposition methods. It is easily transform the complex fractional order derivatives in simple time domain and interpret the results in same meaning.

Method for conducting nonlinear electrochemical impedance spectroscopy

DOEpatents

Adler, Stuart B.; Wilson, Jamie R.; Huff, Shawn L.; Schwartz, Daniel T.

2015-06-02

A method for conducting nonlinear electrochemical impedance spectroscopy. The method includes quantifying the nonlinear response of an electrochemical system by measuring higher-order current or voltage harmonics generated by moderate-amplitude sinusoidal current or voltage perturbations. The method involves acquisition of the response signal followed by time apodization and fast Fourier transformation of the data into the frequency domain, where the magnitude and phase of each harmonic signal can be readily quantified. The method can be implemented on a computer as a software program.

Driven similarity renormalization group for excited states: A state-averaged perturbation theory

NASA Astrophysics Data System (ADS)

Li, Chenyang; Evangelista, Francesco A.

2018-03-01

The multireference driven similarity renormalization group (MRDSRG) approach [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)] is generalized to treat quasi-degenerate electronic excited states. The new scheme, termed state-averaged (SA) MRDSRG, is a state-universal approach that considers an ensemble of quasi-degenerate states on an equal footing. Using the SA-MRDSRG framework, we implement second- (SA-DSRG-PT2) and third-order (SA-DSRG-PT3) perturbation theories. These perturbation theories can treat a manifold of near-degenerate states at the cost of a single state-specific computation. At the same time, they have several desirable properties: (1) they are intruder-free and size-extensive, (2) their energy expressions can be evaluated non-iteratively and require at most the three-body density cumulant of the reference states, and (3) the reference states are allowed to relax in the presence of dynamical correlation effects. Numerical benchmarks on the potential energy surfaces of lithium fluoride, ammonia, and the penta-2,4-dieniminium cation reveal that the SA-DSRG-PT2 method yields results with accuracy similar to that of other second-order quasi-degenerate perturbation theories. The SA-DSRG-PT3 results are instead consistent with those from multireference configuration interaction with singles and doubles (MRCISD). Finally, we compute the vertical excitation energies of (E,E)-1,3,5,7-octatetraene. The ordering of the lowest three states is predicted to be 2 1Ag-<1 1Bu+<1 1Bu- by both SA-DSRG-PT2 and SA-DSRG-PT3, in accordance with MRCISD plus Davidson correction.

Cortical geometry as a determinant of brain activity eigenmodes: Neural field analysis

NASA Astrophysics Data System (ADS)

Gabay, Natasha C.; Robinson, P. A.

2017-09-01

Perturbation analysis of neural field theory is used to derive eigenmodes of neural activity on a cortical hemisphere, which have previously been calculated numerically and found to be close analogs of spherical harmonics, despite heavy cortical folding. The present perturbation method treats cortical folding as a first-order perturbation from a spherical geometry. The first nine spatial eigenmodes on a population-averaged cortical hemisphere are derived and compared with previous numerical solutions. These eigenmodes contribute most to brain activity patterns such as those seen in electroencephalography and functional magnetic resonance imaging. The eigenvalues of these eigenmodes are found to agree with the previous numerical solutions to within their uncertainties. Also in agreement with the previous numerics, all eigenmodes are found to closely resemble spherical harmonics. The first seven eigenmodes exhibit a one-to-one correspondence with their numerical counterparts, with overlaps that are close to unity. The next two eigenmodes overlap the corresponding pair of numerical eigenmodes, having been rotated within the subspace spanned by that pair, likely due to second-order effects. The spatial orientations of the eigenmodes are found to be fixed by gross cortical shape rather than finer-scale cortical properties, which is consistent with the observed intersubject consistency of functional connectivity patterns. However, the eigenvalues depend more sensitively on finer-scale cortical structure, implying that the eigenfrequencies and consequent dynamical properties of functional connectivity depend more strongly on details of individual cortical folding. Overall, these results imply that well-established tools from perturbation theory and spherical harmonic analysis can be used to calculate the main properties and dynamics of low-order brain eigenmodes.

Jet production in the CoLoRFulNNLO method: Event shapes in electron-positron collisions

NASA Astrophysics Data System (ADS)

Del Duca, Vittorio; Duhr, Claude; Kardos, Adam; Somogyi, Gábor; Szőr, Zoltán; Trócsányi, Zoltán; Tulipánt, Zoltán

2016-10-01

We present the CoLoRFulNNLO method to compute higher order radiative corrections to jet cross sections in perturbative QCD. We apply our method to the computation of event shape observables in electron-positron collisions at NNLO accuracy and validate our code by comparing our predictions to previous results in the literature. We also calculate for the first time jet cone energy fraction at NNLO.

Revisiting Boundary Perturbation Theory for Inhomogeneous Transport Problems

DOE PAGES

Favorite, Jeffrey A.; Gonzalez, Esteban

2017-03-10

Adjoint-based first-order perturbation theory is applied again to boundary perturbation problems. Rahnema developed a perturbation estimate that gives an accurate first-order approximation of a flux or reaction rate within a radioactive system when the boundary is perturbed. When the response of interest is the flux or leakage current on the boundary, the Roussopoulos perturbation estimate has long been used. The Rahnema and Roussopoulos estimates differ in one term. Our paper shows that the Rahnema and Roussopoulos estimates can be derived consistently, using different responses, from a single variational functional (due to Gheorghiu and Rahnema), resolving any apparent contradiction. In analyticmore » test problems, Rahnema’s estimate and the Roussopoulos estimate produce exact first derivatives of the response of interest when appropriately applied. We also present a realistic, nonanalytic test problem.« less

Analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculation.

PubMed

Si, Dejun; Li, Hui

2011-10-14

The analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculations are derived and implemented for spin-restricted closed shell (RMP2), Z-averaged spin-restricted open shell (ZAPT2), and spin-unrestricted open shell (UMP2) cases. Using these methods, the geometries of the S(0) ground state and the T(1) state of three nucleobase pairs (guanine-cytosine, adenine-thymine, and adenine-uracil) in the gas phase and aqueous solution phase are optimized. It is found that in both the gas phase and the aqueous solution phase the hydrogen bonds in the T(1) state pairs are weakened by ~1 kcal/mol as compared to those in the S(0) state pairs. © 2011 American Institute of Physics

A hybrid-perturbation-Galerkin technique which combines multiple expansions

NASA Technical Reports Server (NTRS)

Geer, James F.; Andersen, Carl M.

1989-01-01

A two-step hybrid perturbation-Galerkin method for the solution of a variety of differential equations type problems is found to give better results when multiple perturbation expansions are employed. The method assumes that there is parameter in the problem formulation and that a perturbation method can be sued to construct one or more expansions in this perturbation coefficient functions multiplied by computed amplitudes. In step one, regular and/or singular perturbation methods are used to determine the perturbation coefficient functions. The results of step one are in the form of one or more expansions each expressed as a sum of perturbation coefficient functions multiplied by a priori known gauge functions. In step two the classical Bubnov-Galerkin method uses the perturbation coefficient functions computed in step one to determine a set of amplitudes which replace and improve upon the gauge functions. The hybrid method has the potential of overcoming some of the drawbacks of the perturbation and Galerkin methods as applied separately, while combining some of their better features. The proposed method is applied, with two perturbation expansions in each case, to a variety of model ordinary differential equations problems including: a family of linear two-boundary-value problems, a nonlinear two-point boundary-value problem, a quantum mechanical eigenvalue problem and a nonlinear free oscillation problem. The results obtained from the hybrid methods are compared with approximate solutions obtained by other methods, and the applicability of the hybrid method to broader problem areas is discussed.

Perturbative Aspects of Low-Dimensional Quantum Field Theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wardaya, Asep Y.; Theoretical Physics Laboratory, Theoretical High Energy Physics and Instrumentation Research Group, FMIPA, Institut Teknologi Bandung, Jl. Ganesha 10 Bandung 40132; Zen, Freddy P.

We investigate the low-dimensional applications of Quantum Field Theory (QFT), namely Chern-Simons-Witten Theory (CSWT) and Affine Toda Field Theory (ATFT) in 3- and 2- dimensions. We discuss the perturbative aspects of both theories and compare the results to the exact solutions obtained nonperturbatively. For the three dimensions CSWT case, the perturbative term agree with the nonperturbative polynomial invariants up to third order of the coupling constant 1/k. In the two dimensions ATFT, we investigate the perturbative aspect of S-matrices for A{sub 1}{sup (1)} case in eighth order of the coupling constant {beta}.

Third-order perturbative lattice and complex Langevin analyses of the finite-temperature equation of state of nonrelativistic fermions in one dimension

NASA Astrophysics Data System (ADS)

Loheac, Andrew C.; Drut, Joaquín E.

2017-05-01

We analyze the pressure and density equations of state of unpolarized nonrelativistic fermions at finite temperature in one spatial dimension with contact interactions. For attractively interacting regimes, we perform a third-order lattice perturbation theory calculation, assess its convergence properties by comparing with hybrid Monte Carlo results (there is no sign problem in this regime), and demonstrate agreement with real Langevin calculations. For repulsive interactions, we present lattice perturbation theory results as well as complex Langevin calculations, with a modified action to prevent uncontrolled excursions in the complex plane. Although perturbation theory is a common tool, our implementation of it is unconventional; we use a Hubbard-Stratonovich transformation to decouple the system and automate the application of Wick's theorem, thus generating the diagrammatic expansion, including symmetry factors, at any desired order. We also present an efficient technique to tackle nested Matsubara frequency sums without relying on contour integration, which is independent of dimension and applies to both relativistic and nonrelativistic systems, as well as all energy-independent interactions. We find exceptional agreement between perturbative and nonperturbative results at weak couplings, and furnish predictions based on complex Langevin at strong couplings. We additionally present perturbative calculations of up to the fifth-order virial coefficient for repulsive and attractive couplings. Both the lattice perturbation theory and complex Langevin formalisms can easily be extended to a variety of situations including polarized systems, bosons, and higher dimension.

Asymptotic matching by the symbolic manipulator MACSYMA

NASA Technical Reports Server (NTRS)

Lo, L. L.

1985-01-01

The delegation of the labor of calculating higher-order terms in singular perturbation (SP) expansions to a computer by the use of MACSYMA is considered. The method of matched asymptotic expansions is studied in detail for two model SP problems: a model resembling the boundary layer equation with a small parameter multiplying the highest derivatives; and a turning-point problem. It is shown that MACSYMA has successfully performed the higher-order matching in both problems.

An algorithm for solving the perturbed gas dynamic equations

NASA Technical Reports Server (NTRS)

Davis, Sanford

1993-01-01

The present application of a compact, higher-order central-difference approximation to the linearized Euler equations illustrates the multimodal character of these equations by means of computations for acoustic, vortical, and entropy waves. Such dissipationless central-difference methods are shown to propagate waves exhibiting excellent phase and amplitude resolution on the basis of relatively large time-steps; they can be applied to wave problems governed by systems of first-order partial differential equations.

Inversion of tsunami height using ionospheric observations. The case of the 2012 Haida Gwaii tsunami

NASA Astrophysics Data System (ADS)

Rakoto, V.; Lognonne, P. H.; Rolland, L.

2014-12-01

Large and moderate tsunamis generate atmospheric internal gravity waves that are detectable using ionospheric monitoring. Indeed tsunamis of height 2cm and more in open ocean were detected with GPS (Rolland et al. 2010). We present a new method to retrieve the tsunami height from GPS-derived Total Electron Content observations. We present the case of the Mw 7.8 Haida Gwaii earthquake that occured the 28 october 2012 offshore the Queen Charlotte island near the canadian west coast. This event created a moderate tsunami of 4cm offshore the Hawaii archipelago. Equipped with more than 50 receivers it was possible to image the tsunami-induced ionospheric perturbation. First, our forward model leading to the TEC perturbation follows three steps : (1) 3D modeling of the neutral atmosphere perturbation by summation of tsunami-induced gravity waves normal modes. (2) Coupling of the neutral atmosphere perturbation with the ionosphere to retrieve the electron density perturbation. (3) Integration of the electron density perturbation along each satellite-station ray path. Then we compare this results to the data acquired by the Hawaiian GPS network. Finally, we examine the possibility to invert the TEC data in order to retrieve the tsunami height and waveform. For this we investigate the link between the height of tsunamis and the perturbed TEC in the ionosphere.

Application of the Finite Element Method in Atomic and Molecular Physics

NASA Technical Reports Server (NTRS)

Shertzer, Janine

2007-01-01

The finite element method (FEM) is a numerical algorithm for solving second order differential equations. It has been successfully used to solve many problems in atomic and molecular physics, including bound state and scattering calculations. To illustrate the diversity of the method, we present here details of two applications. First, we calculate the non-adiabatic dipole polarizability of Hi by directly solving the first and second order equations of perturbation theory with FEM. In the second application, we calculate the scattering amplitude for e-H scattering (without partial wave analysis) by reducing the Schrodinger equation to set of integro-differential equations, which are then solved with FEM.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, L. F., E-mail: wang-lifeng@iapcm.ac.cn; Ye, W. H.; Liu, Jie

In this research, a weakly nonlinear (WN) model has been developed considering the growth of a small perturbation on a cylindrical interface between two incompressible fluids which is subject to arbitrary radial motion. We derive evolution equations for the perturbation amplitude up to third order, which can depict the linear growth of the fundamental mode, the generation of the second and third harmonics, and the third-order (second-order) feedback to the fundamental mode (zero-order). WN solutions are obtained for a special uniformly convergent case. WN analyses are performed to address the dependence of interface profiles, amplitudes of inward-going and outward-going parts,more » and saturation amplitudes of linear growth of the fundamental mode on the Atwood number, the mode number (m), and the initial perturbation. The difference of WN evolution in cylindrical geometry from that in planar geometry is discussed in some detail. It is shown that interface profiles are determined mainly by the inward and outward motions rather than bubbles and spikes. The amplitudes of inward-going and outward-going parts are strongly dependent on the Atwood number and the initial perturbation. For low-mode perturbations, the linear growth of fundamental mode cannot be saturated by the third-order feedback. For fixed Atwood numbers and initial perturbations, the linear growth of fundamental mode can be saturated with increasing m. The saturation amplitude of linear growth of the fundamental mode is typically 0.2λ–0.6λ for m < 100, with λ being the perturbation wavelength. Thus, it should be included in applications where Bell-Plesset [G. I. Bell, Los Alamos Scientific Laboratory Report No. LA-1321, 1951; M. S. Plesset, J. Appl. Phys. 25, 96 (1954)] converging geometry effects play a pivotal role, such as inertial confinement fusion implosions.« less

Using the MCNP Taylor series perturbation feature (efficiently) for shielding problems

NASA Astrophysics Data System (ADS)

Favorite, Jeffrey

2017-09-01

The Taylor series or differential operator perturbation method, implemented in MCNP and invoked using the PERT card, can be used for efficient parameter studies in shielding problems. This paper shows how only two PERT cards are needed to generate an entire parameter study, including statistical uncertainty estimates (an additional three PERT cards can be used to give exact statistical uncertainties). One realistic example problem involves a detailed helium-3 neutron detector model and its efficiency as a function of the density of its high-density polyethylene moderator. The MCNP differential operator perturbation capability is extremely accurate for this problem. A second problem involves the density of the polyethylene reflector of the BeRP ball and is an example of first-order sensitivity analysis using the PERT capability. A third problem is an analytic verification of the PERT capability.

Higher order Stark effect and transition probabilities on hyperfine structure components of hydrogen like atoms

NASA Astrophysics Data System (ADS)

Pal'Chikov, V. G.

2000-08-01

A quantum-electrodynamical (QED) perturbation theory is developed for hydrogen and hydrogen-like atomic systems with interaction between bound electrons and radiative field being treated as the perturbation. The dependence of the perturbed energy of levels on hyperfine structure (hfs) effects and on the higher-order Stark effect is investigated. Numerical results have been obtained for the transition probability between the hfs components of hydrogen-like bismuth.

Perturbation Biology: Inferring Signaling Networks in Cellular Systems

PubMed Central

Miller, Martin L.; Gauthier, Nicholas P.; Jing, Xiaohong; Kaushik, Poorvi; He, Qin; Mills, Gordon; Solit, David B.; Pratilas, Christine A.; Weigt, Martin; Braunstein, Alfredo; Pagnani, Andrea; Zecchina, Riccardo; Sander, Chris

2013-01-01

We present a powerful experimental-computational technology for inferring network models that predict the response of cells to perturbations, and that may be useful in the design of combinatorial therapy against cancer. The experiments are systematic series of perturbations of cancer cell lines by targeted drugs, singly or in combination. The response to perturbation is quantified in terms of relative changes in the measured levels of proteins, phospho-proteins and cellular phenotypes such as viability. Computational network models are derived de novo, i.e., without prior knowledge of signaling pathways, and are based on simple non-linear differential equations. The prohibitively large solution space of all possible network models is explored efficiently using a probabilistic algorithm, Belief Propagation (BP), which is three orders of magnitude faster than standard Monte Carlo methods. Explicit executable models are derived for a set of perturbation experiments in SKMEL-133 melanoma cell lines, which are resistant to the therapeutically important inhibitor of RAF kinase. The resulting network models reproduce and extend known pathway biology. They empower potential discoveries of new molecular interactions and predict efficacious novel drug perturbations, such as the inhibition of PLK1, which is verified experimentally. This technology is suitable for application to larger systems in diverse areas of molecular biology. PMID:24367245

Surface wave scattering from sharp lateral discontinuities

NASA Astrophysics Data System (ADS)

Pollitz, Fred F.

1994-11-01

The problem of surface wave scattering is re-explored, with quasi-degenerate normal mode coupling as the starting point. For coupling among specified spheroidal and toroidal mode dispersion branches, a set of coupled wave equations is derived in the frequency domain for first-arriving Rayleigh and Love waves. The solutions to these coupled wave equations using linear perturbation theory are surface integrals over the unit sphere covering the lateral distribution of perturbations in Earth structure. For isotropic structural perturbations and surface topographic perturbations, these solutions agree with the Born scattering theory previously obtained by Snieder and Romanowicz. By transforming these surface integrals into line integrals along the boundaries of the heterogeneous regions in the case of sharp discontinuities, and by using uniformly valid Green's functions, it is possible to extend the solution to the case of multiple scattering interactions. The proposed method allows the relatively rapid calculation of exact second order scattered wavefield potentials for scattering by sharp discontinuities, and it has many advantages not realized in earlier treatments. It employs a spherical Earth geometry, uses no far field approximation, and implicitly contains backward as well as forward scattering. Comparisons of asymptotic scattering and an exact solution with single scattering and multiple scattering integral formulations show that the phase perturbation predicted by geometrical optics breaks down for scatterers less than about six wavelengths in diameter, and second-order scattering predicts well both the amplitude and phase pattern of the exact wavefield for sufficiently small scatterers, less than about three wavelengths in diameter for anomalies of a few percent.

Selected Topics in Light Front Field Theory and Applications to the High Energy Phenomena

NASA Astrophysics Data System (ADS)

Kundu, Rajen

1999-10-01

In this thesis, we have presented some of the aspects of light-front (LF) field theory through their successful application in the Deep Inelastic Scattering (DIS). We have developed a LFQCD Hamiltonian description of the DIS structure functions starting from Bjorken-Johnson-Low limit of virtual forward Compton scattering amplitude and using LF current commutators. We worked in the LF gauge A^+=0 and used the old-fashioned LFQCD perturbation theory in our calculations. The importance of our work are summarized below. Our approach shares the intution of parton model and addresses directly the structure functions, which are experimental objects, instead of its moments as in OPE method. Moreover, it can potentially incorporate the non-perturbative contents of the structure functions as we have demonstrated by introducing a new factorization scheme. In the context of nucleonic helicity structure, the well known gauge fixed LF helicity operator is shown to provide consistent physical information and helps us defining new relevant structure functions. The anomalous dimensions relevant for the Q^2-evolution of such structure functions are calculated. Our study is important in establishing the equivalance of LF field theory and the usual equal-time one through perturbative calculations of the dressed parton structure functions reproducing the well known results. Also the importance of Gallilean boost symmetry in understanding the correctness of any higher order calculation using (x^+)-ordered LFQCD perturbation theory are emphasized.

Fast higher-order MR image reconstruction using singular-vector separation.

PubMed

Wilm, Bertram J; Barmet, Christoph; Pruessmann, Klaas P

2012-07-01

Medical resonance imaging (MRI) conventionally relies on spatially linear gradient fields for image encoding. However, in practice various sources of nonlinear fields can perturb the encoding process and give rise to artifacts unless they are suitably addressed at the reconstruction level. Accounting for field perturbations that are neither linear in space nor constant over time, i.e., dynamic higher-order fields, is particularly challenging. It was previously shown to be feasible with conjugate-gradient iteration. However, so far this approach has been relatively slow due to the need to carry out explicit matrix-vector multiplications in each cycle. In this work, it is proposed to accelerate higher-order reconstruction by expanding the encoding matrix such that fast Fourier transform can be employed for more efficient matrix-vector computation. The underlying principle is to represent the perturbing terms as sums of separable functions of space and time. Compact representations with this property are found by singular-vector analysis of the perturbing matrix. Guidelines for balancing the accuracy and speed of the resulting algorithm are derived by error propagation analysis. The proposed technique is demonstrated for the case of higher-order field perturbations due to eddy currents caused by diffusion weighting. In this example, image reconstruction was accelerated by two orders of magnitude.

Simulations of non-relativistic quantum chromodynamics at strong and weak coupling

NASA Astrophysics Data System (ADS)

Shakespeare, Norman Harold

In this thesis heavy quarks are investigated using lattice nonrelativistic quantum chromodynamics (NRQCD). Two major research works are presented. In the first major work, simulations are done for the three quarkonium systems cc¯, bc¯, and bb¯. The hyperfine splittings are computed at both leading and next-to-leading order in the relativistic expansion, using a large number of lattice spacings. A detailed comparison between mean-link and average plaquette tadpole renormalization schemes is undertaken with a number of features favouring the use of mean-links. These include much better scaling behavior of the hyperfine splittings and smaller relativistic corrections to the spin splittings. Signs of a breakdown in the NRQCD expansion are seen when the bare quark mass, in lattice units, falls below about one. In the second work, coefficients for the perturbative expansion of the static quark self energy are extracted from Monte Carlo simulations in the perturbative region of lattice quantum chromodynamics (QCD). A very large systematic study resulted in a major extension of existing methods. Twisted boundary conditions are used to eliminate the effects of zero modes and to suppress tunneling between the degenerate Z3 vacua. The Monte Carlo results are in excellent agreement with analytic perturbation theory, which is known through second order. New results for the third order coefficient are reported. Preliminary work is reported on quark propagators which will be used to measure second order mass renormalizations for NRQCD fermions.

Force and moment rotordynamic coefficients for pump-impeller shroud surfaces

NASA Technical Reports Server (NTRS)

Childs, Dara W.

1987-01-01

Governing equations of motion are derived for a bulk-flow model of the leakage path between an impeller shroud and a pump housing. The governing equations consist of a path-momentum, a circumferential - momentum, and a continuity equation. The fluid annulus between the impeller shroud and pump housing is assumed to be circumferentially symmetric when the impeller is centered; i.e., the clearance can vary along the pump axis but does not vary in the circumferential direction. A perturbation expansion of the governing equations in the eccentricity ratio yields a set of zeroth and first-order governing equations. The zeroth-order equations define the leaking rate and the circumferential and path velocity distributions and pressure distributions for a centered impeller position. The first-order equations define the perturbations in the velocity and pressure distributions due to either a radial-displacement perturbation or a tilt perturbation of the impeller. Integration of the perturbed pressure and shear-stress distribution acting on the rotor yields the reaction forces and moments acting on the impeller face.

Dynamic perturbation effects upon the circular dichroism intensity induced in an aggregate of dye chromophores bound to biopolymers

NASA Astrophysics Data System (ADS)

Kamiya, Mamoru

1980-11-01

The dynamic perturbation effects of polarizable monomer perturbers upon the circular dichroism intensity arising from absorption transitions of an arbitrary aggregate of dye chromophores bound to a large host polymer are formulated using the linear response theory in the decorrelation approximation, where the interchromophoric retardation phase factors are eliminated by a first-order Taylor expansion which is compatible with the use of the retarded helix selection rules in the long-wavelength approximation. A space-averaged and closed-form formulation of the non-conservative circular dichroism intensity which is perturbed by intensity with the outside perturber transitions is derived in the limit of the weak dynamic perturbation where perturber—perturber interactions are negligible. The relevant formulation is applied in order to investigate the intercalation model dependence of the non-conservative circular dichroism intensity induced at the visible absorption band of proflavine molecules intercalated in either poly(A—T) or poly(G—C).

Frequency-domain algorithm for the Lorenz-gauge gravitational self-force

NASA Astrophysics Data System (ADS)

Akcay, Sarp; Warburton, Niels; Barack, Leor

2013-11-01

State-of-the-art computations of the gravitational self-force (GSF) on massive particles in black hole spacetimes involve numerical evolution of the metric perturbation equations in the time domain, which is computationally very costly. We present here a new strategy based on a frequency-domain treatment of the perturbation equations, which offers considerable computational saving. The essential ingredients of our method are (i) a Fourier-harmonic decomposition of the Lorenz-gauge metric perturbation equations and a numerical solution of the resulting coupled set of ordinary equations with suitable boundary conditions; (ii) a generalized version of the method of extended homogeneous solutions [L. Barack, A. Ori, and N. Sago, Phys. Rev. D 78, 084021 (2008)] used to circumvent the Gibbs phenomenon that would otherwise hamper the convergence of the Fourier mode sum at the particle’s location; (iii) standard mode-sum regularization, which finally yields the physical GSF as a sum over regularized modal contributions. We present a working code that implements this strategy to calculate the Lorenz-gauge GSF along eccentric geodesic orbits around a Schwarzschild black hole. The code is far more efficient than existing time-domain methods; the gain in computation speed (at a given precision) is about an order of magnitude at an eccentricity of 0.2, and up to 3 orders of magnitude for circular or nearly circular orbits. This increased efficiency was crucial in enabling the recently reported calculation of the long-term orbital evolution of an extreme mass ratio inspiral [N. Warburton, S. Akcay, L. Barack, J. R. Gair, and N. Sago, Phys. Rev. D 85, 061501(R) (2012)]. Here we provide full technical details of our method to complement the above report.

The Vibrational Frequencies of CaO2, ScO2, and TiO2: A Comparison of Theoretical Methods

NASA Technical Reports Server (NTRS)

Rosi, Marzio; Bauschlicher, Charles W., Jr.; Chertihin, George V.; Andrews, Lester; Arnold, James O. (Technical Monitor)

1997-01-01

The vibrational frequencies of several states of CaO2, ScO2, and TiO2 are computed at using density functional theory (DFT), the Hatree-Fock approach, second order Moller-Plesset perturbation theory (MP2), and the complete-active-space self-consistent-field theory. Three different functionals are used in the DFT calculations, including two hybrid functionals. The coupled cluster singles and doubles approach including the effect of unlinked triples, determined using perturbation theory, is applied to selected states. The Becke-Perdew 86 functional appears to be the cost effective method of choice, although even this functional does not perform well for one state of CaO2. The MP2 approach is significantly inferior to the DFT approaches.

Reduced quantum dynamics with arbitrary bath spectral densities: hierarchical equations of motion based on several different bath decomposition schemes.

PubMed

Liu, Hao; Zhu, Lili; Bai, Shuming; Shi, Qiang

2014-04-07

We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly in the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.

Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Hao; Zhu, Lili; Bai, Shuming

2014-04-07

We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly inmore » the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.« less

Center Frequency Stabilization in Planar Dual-Mode Resonators during Mode-Splitting Control

NASA Astrophysics Data System (ADS)

Naji, Adham; Soliman, Mina H.

2017-03-01

Shape symmetry in dual-mode planar electromagnetic resonators results in their ability to host two degenerate resonant modes. As the designer enforces a controllable break in the symmetry, the degeneracy is removed and the two modes couple, exchanging energy and elevating the resonator into its desirable second-order resonance operation. The amount of coupling is controlled by the degree of asymmetry introduced. However, this mode coupling (or splitting) usually comes at a price. The centre frequency of the perturbed resonator is inadvertently drifted from its original value prior to coupling. Maintaining centre frequency stability during mode splitting is a nontrivial geometric design problem. In this paper, we analyse the problem and propose a novel method to compensate for this frequency drift, based on field analysis and perturbation theory, and we validate the solution through a practical design example and measurements. The analytical method used works accurately within the perturbational limit. It may also be used as a starting point for further numerical optimization algorithms, reducing the required computational time during design, when larger perturbations are made to the resonator. In addition to enabling the novel design example presented, it is hoped that the findings will inspire akin designs for other resonator shapes, in different disciplines and applications.

Vector and tensor contributions to the curvature perturbation at second order

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carrilho, Pedro; Malik, Karim A., E-mail: p.gregoriocarrilho@qmul.ac.uk, E-mail: k.malik@qmul.ac.uk

2016-02-01

We derive the evolution equation for the second order curvature perturbation using standard techniques of cosmological perturbation theory. We do this for different definitions of the gauge invariant curvature perturbation, arising from different splits of the spatial metric, and compare the expressions. The results are valid at all scales and include all contributions from scalar, vector and tensor perturbations, as well as anisotropic stress, with all our results written purely in terms of gauge invariant quantities. Taking the large-scale approximation, we find that a conserved quantity exists only if, in addition to the non-adiabatic pressure, the transverse traceless part ofmore » the anisotropic stress tensor is also negligible. We also find that the version of the gauge invariant curvature perturbation which is exactly conserved is the one defined with the determinant of the spatial part of the inverse metric.« less

Lagrangian theory of structure formation in relativistic cosmology. IV. Lagrangian approach to gravitational waves

NASA Astrophysics Data System (ADS)

Al Roumi, Fosca; Buchert, Thomas; Wiegand, Alexander

2017-12-01

The relativistic generalization of the Newtonian Lagrangian perturbation theory is investigated. In previous works, the perturbation and solution schemes that are generated by the spatially projected gravitoelectric part of the Weyl tensor were given to any order of the perturbations, together with extensions and applications for accessing the nonperturbative regime. We here discuss more in detail the general first-order scheme within the Cartan formalism including and concentrating on the gravitational wave propagation in matter. We provide master equations for all parts of Lagrangian-linearized perturbations propagating in the perturbed spacetime, and we outline the solution procedure that allows one to find general solutions. Particular emphasis is given to global properties of the Lagrangian perturbation fields by employing results of Hodge-de Rham theory. We here discuss how the Hodge decomposition relates to the standard scalar-vector-tensor decomposition. Finally, we demonstrate that we obtain the known linear perturbation solutions of the standard relativistic perturbation scheme by performing two steps: first, by restricting our solutions to perturbations that propagate on a flat unperturbed background spacetime and, second, by transforming to Eulerian background coordinates with truncation of nonlinear terms.

Evaluating the role of higher order nonlinearity in water of finite and shallow depth with a direct numerical simulation method of Euler equations

NASA Astrophysics Data System (ADS)

Fernandez, L.; Toffoli, A.; Monbaliu, J.

2012-04-01

In deep water, the dynamics of surface gravity waves is dominated by the instability of wave packets to side band perturbations. This mechanism, which is a nonlinear third order in wave steepness effect, can lead to a particularly strong focusing of wave energy, which in turn results in the formation of waves of very large amplitude also known as freak or rogue waves [1]. In finite water depth, however, the interaction between waves and the ocean floor induces a mean current. This subtracts energy from wave instability and causes it to cease for relative water depth , where k is the wavenumber and h the water depth [2]. Yet, this contradicts field observations of extreme waves such as the infamous 26-m "New Year" wave that have mainly been recorded in regions of relatively shallow water . In this respect, recent studies [3] seem to suggest that higher order nonlinearity in water of finite depth may sustain instability. In order to assess the role of higher order nonlinearity in water of finite and shallow depth, here we use a Higher Order Spectral Method [4] to simulate the evolution of surface gravity waves according to the Euler equations of motion. This method is based on an expansion of the vertical velocity about the surface elevation under the assumption of weak nonlinearity and has a great advantage of allowing the activation or deactivation of different orders of nonlinearity. The model is constructed to deal with an arbitrary order of nonlinearity and water depths so that finite and shallow water regimes can be analyzed. Several wave configurations are considered with oblique and collinear with the primary waves disturbances and different water depths. The analysis confirms that nonlinearity higher than third order play a substantial role in the destabilization of a primary wave train and subsequent growth of side band perturbations.

Inverse analysis and regularisation in conditional source-term estimation modelling

NASA Astrophysics Data System (ADS)

Labahn, Jeffrey W.; Devaud, Cecile B.; Sipkens, Timothy A.; Daun, Kyle J.

2014-05-01

Conditional Source-term Estimation (CSE) obtains the conditional species mass fractions by inverting a Fredholm integral equation of the first kind. In the present work, a Bayesian framework is used to compare two different regularisation methods: zeroth-order temporal Tikhonov regulatisation and first-order spatial Tikhonov regularisation. The objectives of the current study are: (i) to elucidate the ill-posedness of the inverse problem; (ii) to understand the origin of the perturbations in the data and quantify their magnitude; (iii) to quantify the uncertainty in the solution using different priors; and (iv) to determine the regularisation method best suited to this problem. A singular value decomposition shows that the current inverse problem is ill-posed. Perturbations to the data may be caused by the use of a discrete mixture fraction grid for calculating the mixture fraction PDF. The magnitude of the perturbations is estimated using a box filter and the uncertainty in the solution is determined based on the width of the credible intervals. The width of the credible intervals is significantly reduced with the inclusion of a smoothing prior and the recovered solution is in better agreement with the exact solution. The credible intervals for temporal and spatial smoothing are shown to be similar. Credible intervals for temporal smoothing depend on the solution from the previous time step and a smooth solution is not guaranteed. For spatial smoothing, the credible intervals are not dependent upon a previous solution and better predict characteristics for higher mixture fraction values. These characteristics make spatial smoothing a promising alternative method for recovering a solution from the CSE inversion process.

Quark mass relations to four-loop order in perturbative QCD.

PubMed

Marquard, Peter; Smirnov, Alexander V; Smirnov, Vladimir A; Steinhauser, Matthias

2015-04-10

We present results for the relation between a heavy quark mass defined in the on-shell and minimal subtraction (MS[over ¯]) scheme to four-loop order. The method to compute the four-loop on-shell integral is briefly described and the new results are used to establish relations between various short-distance masses and the MS[over ¯] quark mass to next-to-next-to-next-to-leading order accuracy. These relations play an important role in the accurate determination of the MS[over ¯] heavy quark masses.

ProteinAC: a frequency domain technique for analyzing protein dynamics

NASA Astrophysics Data System (ADS)

Bozkurt Varolgunes, Yasemin; Demir, Alper

2018-03-01

It is widely believed that the interactions of proteins with ligands and other proteins are determined by their dynamic characteristics as opposed to only static, time-invariant processes. We propose a novel computational technique, called ProteinAC (PAC), that can be used to analyze small scale functional protein motions as well as interactions with ligands directly in the frequency domain. PAC was inspired by a frequency domain analysis technique that is widely used in electronic circuit design, and can be applied to both coarse-grained and all-atom models. It can be considered as a generalization of previously proposed static perturbation-response methods, where the frequency of the perturbation becomes the key. We discuss the precise relationship of PAC to static perturbation-response schemes. We show that the frequency of the perturbation may be an important factor in protein dynamics. Perturbations at different frequencies may result in completely different response behavior while magnitude and direction are kept constant. Furthermore, we introduce several novel frequency dependent metrics that can be computed via PAC in order to characterize response behavior. We present results for the ferric binding protein that demonstrate the potential utility of the proposed techniques.

Fast kinematic ray tracing of first- and later-arriving global seismic phases

NASA Astrophysics Data System (ADS)

Bijwaard, Harmen; Spakman, Wim

1999-11-01

We have developed a ray tracing algorithm that traces first- and later-arriving global seismic phases precisely (traveltime errors of the order of 0.1 s), and with great computational efficiency (15 rays s- 1). To achieve this, we have extended and adapted two existing ray tracing techniques: a graph method and a perturbation method. The two resulting algorithms are able to trace (critically) refracted, (multiply) reflected, some diffracted (Pdiff), and (multiply) converted seismic phases in a 3-D spherical geometry, thus including the largest part of seismic phases that are commonly observed on seismograms. We have tested and compared the two methods in 2-D and 3-D Cartesian and spherical models, for which both algorithms have yielded precise paths and traveltimes. These tests indicate that only the perturbation method is computationally efficient enough to perform 3-D ray tracing on global data sets of several million phases. To demonstrate its potential for non-linear tomography, we have applied the ray perturbation algorithm to a data set of 7.6 million P and pP phases used by Bijwaard et al. (1998) for linearized tomography. This showed that the expected heterogeneity within the Earth's mantle leads to significant non-linear effects on traveltimes for 10 per cent of the applied phases.

Joint statistics of strongly correlated neurons via dimensionality reduction

NASA Astrophysics Data System (ADS)

Deniz, Taşkın; Rotter, Stefan

2017-06-01

The relative timing of action potentials in neurons recorded from local cortical networks often shows a non-trivial dependence, which is then quantified by cross-correlation functions. Theoretical models emphasize that such spike train correlations are an inevitable consequence of two neurons being part of the same network and sharing some synaptic input. For non-linear neuron models, however, explicit correlation functions are difficult to compute analytically, and perturbative methods work only for weak shared input. In order to treat strong correlations, we suggest here an alternative non-perturbative method. Specifically, we study the case of two leaky integrate-and-fire neurons with strong shared input. Correlation functions derived from simulated spike trains fit our theoretical predictions very accurately. Using our method, we computed the non-linear correlation transfer as well as correlation functions that are asymmetric due to inhomogeneous intrinsic parameters or unequal input.

Stability analysis of a liquid fuel annular combustion chamber. M.S. Thesis

NASA Technical Reports Server (NTRS)

Mcdonald, G. H.

1978-01-01

High frequency combustion instability problems in a liquid fuel annular combustion chamber are examined. A modified Galerkin method was used to produce a set of modal amplitude equations from the general nonlinear partial differential acoustic wave equation in order to analyze the problem of instability. From these modal amplitude equations, the two variable perturbation method was used to develop a set of approximate equations of a given order of magnitude. These equations were modeled to show the effects of velocity sensitive combustion instabilities by evaluating the effects of certain parameters in the given set of equations.

Higher Order Corrections in the CoLoRFulNNLO Framework

NASA Astrophysics Data System (ADS)

Somogyi, G.; Kardos, A.; Szőr, Z.; Trócsányi, Z.

We discuss the CoLoRFulNNLO method for computing higher order radiative corrections to jet cross sections in perturbative QCD. We apply our method to the calculation of event shapes and jet rates in three-jet production in electron-positron annihilation. We validate our code by comparing our predictions to previous results in the literature and present the jet cone energy fraction distribution at NNLO accuracy. We also present preliminary NNLO results for the three-jet rate using the Durham jet clustering algorithm matched to resummed predictions at NLL accuracy, and a comparison to LEP data.

Recursive formulas for determining perturbing accelerations in intermediate satellite motion

NASA Astrophysics Data System (ADS)

Stoianov, L.

Recursive formulas for Legendre polynomials and associated Legendre functions are used to obtain recursive relationships for determining acceleration components which perturb intermediate satellite motion. The formulas are applicable in all cases when the perturbation force function is presented as a series in spherical functions (gravitational, tidal, thermal, geomagnetic, and other perturbations of intermediate motion). These formulas can be used to determine the order of perturbing accelerations.

Rows of optical vortices from elliptically perturbing a high-order beam

NASA Astrophysics Data System (ADS)

Dennis, Mark R.

2006-05-01

An optical vortex (phase singularity) with a high topological strength resides on the axis of a high-order light beam. The breakup of this vortex under elliptic perturbation into a straight row of unit-strength vortices is described. This behavior is studied in helical Ince-Gauss beams and astigmatic, generalized Hermite-Laguerre-Gauss beams, which are perturbations of Laguerre-Gauss beams. Approximations of these beams are derived for small perturbations, in which a neighborhood of the axis can be approximated by a polynomial in the complex plane: a Chebyshev polynomial for Ince-Gauss beams, and a Hermite polynomial for astigmatic beams.

A second-order multi-reference perturbation method for molecular vibrations

NASA Astrophysics Data System (ADS)

Mizukami, Wataru; Tew, David P.

2013-11-01

We present a general multi-reference framework for treating strong correlation in vibrational structure theory, which we denote the vibrational active space self-consistent field (VASSCF) approach. Active configurations can be selected according to excitation level or the degrees of freedom involved, or both. We introduce a novel state-specific second-order multi-configurational perturbation correction that accounts for the remaining weak correlation between the vibrational modes. The resulting VASPT2 method is capable of accurately and efficiently treating strong correlation in the form of large anharmonic couplings, at the same time as correctly resolving resonances between states. These methods have been implemented in our new dynamics package DYNAMOL, which can currently treat up to four-body Hamiltonian coupling terms. We present a pilot application of the VASPT2 method to the trans isomer of formic acid. We have constructed a new analytic potential that reproduces frozen core CCSD(T)(F12*)/cc-pVDZ-F12 energies to within 0.25% RMSD over the energy range 0-15 000 cm-1. The computed VASPT2 fundamental transition energies are accurate to within 9 cm-1 RMSD from experimental values, which is close to the accuracy one can expect from a CCSD(T) potential energy surface.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Favorite, Jeffrey A.; Gonzalez, Esteban

Adjoint-based first-order perturbation theory is applied again to boundary perturbation problems. Rahnema developed a perturbation estimate that gives an accurate first-order approximation of a flux or reaction rate within a radioactive system when the boundary is perturbed. When the response of interest is the flux or leakage current on the boundary, the Roussopoulos perturbation estimate has long been used. The Rahnema and Roussopoulos estimates differ in one term. Our paper shows that the Rahnema and Roussopoulos estimates can be derived consistently, using different responses, from a single variational functional (due to Gheorghiu and Rahnema), resolving any apparent contradiction. In analyticmore » test problems, Rahnema’s estimate and the Roussopoulos estimate produce exact first derivatives of the response of interest when appropriately applied. We also present a realistic, nonanalytic test problem.« less

Summation of power series in particle physics

NASA Astrophysics Data System (ADS)

Fischer, Jan

1999-04-01

The large-order behaviour of power series used in quantum theory (perturbation series and the operator-product expansion) is discussed and relevant summation methods are reviewed. It is emphasised that, in most physically interesting situations, the mere knowledge of the expansion coefficients is not sufficient for a unique determination of the function expanded, and the necessity of some additional, extra-perturbative, input is pointed out. Several possible nonperturbative inputs are suggested. Applications to various problems of quantum chromodynamics are considered. This lecture was presented on the special Memorial Day dedicated to Professor Ryszard R˛czka at this Workshop. The last section is devoted to my personal recollections of this remarkable personality.

Ab initio quantum chemistry: methodology and applications.

PubMed

Friesner, Richard A

2005-05-10

This Perspective provides an overview of state-of-the-art ab initio quantum chemical methodology and applications. The methods that are discussed include coupled cluster theory, localized second-order Moller-Plesset perturbation theory, multireference perturbation approaches, and density functional theory. The accuracy of each approach for key chemical properties is summarized, and the computational performance is analyzed, emphasizing significant advances in algorithms and implementation over the past decade. Incorporation of a condensed-phase environment by means of mixed quantum mechanical/molecular mechanics or self-consistent reaction field techniques, is presented. A wide range of illustrative applications, focusing on materials science and biology, are discussed briefly.

Large space structure model reduction and control system design based upon actuator and sensor influence functions

NASA Technical Reports Server (NTRS)

Yam, Y.; Lang, J. H.; Johnson, T. L.; Shih, S.; Staelin, D. H.

1983-01-01

A model reduction procedure based on aggregation with respect to sensor and actuator influences rather than modes is presented for large systems of coupled second-order differential equations. Perturbation expressions which can predict the effects of spillover on both the aggregated and residual states are derived. These expressions lead to the development of control system design constraints which are sufficient to guarantee, to within the validity of the perturbations, that the residual states are not destabilized by control systems designed from the reduced model. A numerical example is provided to illustrate the application of the aggregation and control system design method.

New optical solitons of space-time conformable fractional perturbed Gerdjikov-Ivanov equation by sine-Gordon equation method

NASA Astrophysics Data System (ADS)

Yaşar, Elif; Yıldırım, Yakup; Yaşar, Emrullah

2018-06-01

This paper devotes to conformable fractional space-time perturbed Gerdjikov-Ivanov (GI) equation which appears in nonlinear fiber optics and photonic crystal fibers (PCF). We consider the model with full nonlinearity in order to give a generalized flavor. The sine-Gordon equation approach is carried out to model equation for retrieving the dark, bright, dark-bright, singular and combined singular optical solitons. The constraint conditions are also reported for guaranteeing the existence of these solitons. We also present some graphical simulations of the solutions for better understanding the physical phenomena of the behind the considered model.

Optimal Low-Thrust Limited-Power Transfers between Arbitrary Elliptic Coplanar Orbits

NASA Technical Reports Server (NTRS)

daSilvaFernandes, Sandro; dasChagasCarvalho, Francisco

2007-01-01

In this work, a complete first order analytical solution, which includes the short periodic terms, for the problem of optimal low-thrust limited-power transfers between arbitrary elliptic coplanar orbits in a Newtonian central gravity field is obtained through Hamilton-Jacobi theory and a perturbation method based on Lie series.

Third-order interelectronic-interaction correction to the 2 p1/2-2 s transition energy in lithiumlike ions

NASA Astrophysics Data System (ADS)

Zherebtsov, O. M.; Shabaev, V. M.; Yerokhin, V. A.

2000-12-01

Third-order interelectronic-interaction correction to the energies of (1 s) 22 s and (1 s) 22 p1/2 states of high- Z lithiumlike ions is evaluated within the Breit approximation in the range 20⩽ Z⩽100. The calculation is carried out using both the relativistic configuration-interaction method and perturbation theory. The correction is shown to be important for the comparison of theory and experiment.

Fixing Stellarator Magnetic Surfaces

NASA Astrophysics Data System (ADS)

Hanson, James D.

1999-11-01

Magnetic surfaces are a perennial issue for stellarators. The design heuristic of finding a magnetic field with zero perpendicular component on a specified outer surface often yields inner magnetic surfaces with very small resonant islands. However, magnetic fields in the laboratory are not design fields. Island-causing errors can arise from coil placement errors, stray external fields, and design inadequacies such as ignoring coil leads and incomplete characterization of current distributions within the coil pack. The problem addressed is how to eliminate such error-caused islands. I take a perturbation approach, where the zero order field is assumed to have good magnetic surfaces, and comes from a VMEC equilibrium. The perturbation field consists of error and correction pieces. The error correction method is to determine the correction field so that the sum of the error and correction fields gives zero island size at specified rational surfaces. It is particularly important to correctly calculate the island size for a given perturbation field. The method works well with many correction knobs, and a Singular Value Decomposition (SVD) technique is used to determine minimal corrections necessary to eliminate islands.

System parameter identification from projection of inverse analysis

NASA Astrophysics Data System (ADS)

Liu, K.; Law, S. S.; Zhu, X. Q.

2017-05-01

The output of a system due to a change of its parameters is often approximated with the sensitivity matrix from the first order Taylor series. The system output can be measured in practice, but the perturbation in the system parameters is usually not available. Inverse sensitivity analysis can be adopted to estimate the unknown system parameter perturbation from the difference between the observation output data and corresponding analytical output data calculated from the original system model. The inverse sensitivity analysis is re-visited in this paper with improvements based on the Principal Component Analysis on the analytical data calculated from the known system model. The identification equation is projected into a subspace of principal components of the system output, and the sensitivity of the inverse analysis is improved with an iterative model updating procedure. The proposed method is numerical validated with a planar truss structure and dynamic experiments with a seven-storey planar steel frame. Results show that it is robust to measurement noise, and the location and extent of stiffness perturbation can be identified with better accuracy compared with the conventional response sensitivity-based method.

Novel asymmetric representation method for solving the higher-order Ginzburg-Landau equation

PubMed Central

Wong, Pring; Pang, Lihui; Wu, Ye; Lei, Ming; Liu, Wenjun

2016-01-01

In ultrafast optics, optical pulses are generated to be of shorter pulse duration, which has enormous significance to industrial applications and scientific research. The ultrashort pulse evolution in fiber lasers can be described by the higher-order Ginzburg-Landau (GL) equation. However, analytic soliton solutions for this equation have not been obtained by use of existing methods. In this paper, a novel method is proposed to deal with this equation. The analytic soliton solution is obtained for the first time, and is proved to be stable against amplitude perturbations. Through the split-step Fourier method, the bright soliton solution is studied numerically. The analytic results here may extend the integrable methods, and could be used to study soliton dynamics for some equations in other disciplines. It may also provide the other way to obtain two-soliton solutions for higher-order GL equations. PMID:27086841

Reduced-order model based active disturbance rejection control of hydraulic servo system with singular value perturbation theory.

PubMed

Wang, Chengwen; Quan, Long; Zhang, Shijie; Meng, Hongjun; Lan, Yuan

2017-03-01

Hydraulic servomechanism is the typical mechanical/hydraulic double-dynamics coupling system with the high stiffness control and mismatched uncertainties input problems, which hinder direct applications of many advanced control approaches in the hydraulic servo fields. In this paper, by introducing the singular value perturbation theory, the original double-dynamics coupling model of the hydraulic servomechanism was reduced to a integral chain system. So that, the popular ADRC (active disturbance rejection control) technology could be directly applied to the reduced system. In addition, the high stiffness control and mismatched uncertainties input problems are avoided. The validity of the simplified model is analyzed and proven theoretically. The standard linear ADRC algorithm is then developed based on the obtained reduced-order model. Extensive comparative co-simulations and experiments are carried out to illustrate the effectiveness of the proposed method. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Stochastic evaluation of second-order many-body perturbation energies.

PubMed

Willow, Soohaeng Yoo; Kim, Kwang S; Hirata, So

2012-11-28

With the aid of the Laplace transform, the canonical expression of the second-order many-body perturbation correction to an electronic energy is converted into the sum of two 13-dimensional integrals, the 12-dimensional parts of which are evaluated by Monte Carlo integration. Weight functions are identified that are analytically normalizable, are finite and non-negative everywhere, and share the same singularities as the integrands. They thus generate appropriate distributions of four-electron walkers via the Metropolis algorithm, yielding correlation energies of small molecules within a few mE(h) of the correct values after 10(8) Monte Carlo steps. This algorithm does away with the integral transformation as the hotspot of the usual algorithms, has a far superior size dependence of cost, does not suffer from the sign problem of some quantum Monte Carlo methods, and potentially easily parallelizable and extensible to other more complex electron-correlation theories.

Vibrational Frequencies and Spectroscopic Constants for 1(sup 3)A' HNC and 1(sup 3)A' HOC+ from High-Accuracy Quartic Force Fields

NASA Technical Reports Server (NTRS)

Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.

2014-01-01

The spectroscopic constants and vibrational frequencies for the 1(sup 3)A' states of HNC, DNC, HOC+, and DOC+ are computed and discussed in this work. The reliable CcCR quartic force field based on high-level coupled cluster ab initio quantum chemical computations is exclusively utilized to provide the anharmonic potential. Then, second order vibrational perturbation theory and vibrational configuration interaction methods are employed to treat the nuclear Schroedinger equation. Second-order perturbation theory is also employed to provide spectroscopic data for all molecules examined. The relationship between these molecules and the corresponding 1(sup 3)A' HCN and HCO+ isomers is further developed here. These data are applicable to laboratory studies involving formation of HNC and HOC+ as well as astronomical observations of chemically active astrophysical environments.

A higher-order Skyrme model

NASA Astrophysics Data System (ADS)

Gudnason, Sven Bjarke; Nitta, Muneto

2017-09-01

We propose a higher-order Skyrme model with derivative terms of eighth, tenth and twelfth order. Our construction yields simple and easy-to-interpret higher-order Lagrangians. We first show that a Skyrmion with higher-order terms proposed by Marleau has an instability in the form of a baby-Skyrmion string, while the static energies of our construction are positive definite, implying stability against time-independent perturbations. However, we also find that the Hamiltonians of our construction possess two kinds of dynamical instabilities, which may indicate the instability with respect to time-dependent perturbations. Different from the well-known Ostrogradsky instability, the instabilities that we find are intrinsically of nonlinear nature and also due to the fact that even powers of the inverse metric gives a ghost-like higher-order kinetic-like term. The vacuum state is, however, stable. Finally, we show that at sufficiently low energies, our Hamiltonians in the simplest cases, are stable against time-dependent perturbations.

Linear force and moment equations for an annular smooth shaft seal perturbed both angularly and laterally

NASA Technical Reports Server (NTRS)

Fenwick, J.; Dijulio, R.; Ek, M. C.; Ehrgott, R.

1982-01-01

Coefficients are derived for equations expressing the lateral force and pitching moments associated with both planar translation and angular perturbations from a nominally centered rotating shaft with respect to a stationary seal. The coefficients for the lowest order and first derivative terms emerge as being significant and are of approximately the same order of magnitude as the fundamental coefficients derived by means of Black's equations. Second derivative, shear perturbation, and entrance coefficient variation effects are adjudged to be small.

Global Melnikov Theory in Hamiltonian Systems with General Time-Dependent Perturbations

NASA Astrophysics Data System (ADS)

Gidea, Marian; de la Llave, Rafael

2018-04-01

We consider a mechanical system consisting of n-penduli and a d-degree-of-freedom rotator. The phase space of the rotator defines a normally hyperbolic invariant manifold Λ _0 . We apply a time-dependent perturbation, which is not assumed to be either Hamiltonian, or periodic, or quasi-periodic, as we allow for rather general time dependence. The strength of the perturbation is given by a parameter ɛ \\in R . For all |ɛ | sufficiently small, the augmented flow—obtained by making the time into a new variable—has a normally hyperbolic locally invariant manifold \\tilde{Λ }_ɛ . For ɛ =0 , \\tilde{Λ }_0=Λ _0× R . We define a Melnikov-type vector, which gives the first-order expansion of the displacement of the stable and unstable manifolds of \\tilde{Λ }_0 under the perturbation. We provide an explicit formula for the Melnikov vector in terms of convergent improper integrals of the perturbation along homoclinic orbits of the unperturbed system. We show that if the perturbation satisfies some explicit non-degeneracy conditions, then the stable and unstable manifolds of \\tilde{Λ }_ɛ , W^s(\\tilde{Λ }_ɛ ) and W^u(\\tilde{Λ }_ɛ ) , respectively, intersect along a transverse homoclinic manifold, and, moreover, the splitting of W^s(\\tilde{Λ }_ɛ ) and W^u(\\tilde{Λ }_ɛ ) can be explicitly computed, up to the first order, in terms of the Melnikov-type vector. This implies that the excursions along some homoclinic trajectories yield a non-trivial increase of order O(ɛ ) in the action variables of the rotator, for all sufficiently small perturbations. The formulas that we obtain are independent of the unperturbed motions in Λ _0 , and give, at the same time, the effects on periodic, quasi-periodic, or general-type orbits. When the perturbation is Hamiltonian, we express the effects of the perturbation, up to the first order, in terms of a Melnikov potential. In addition, if the perturbation is periodic, we obtain that the non-degeneracy conditions on the Melnikov potential are generic.

Deconvolution of subcellular protrusion heterogeneity and the underlying actin regulator dynamics from live cell imaging.

PubMed

Wang, Chuangqi; Choi, Hee June; Kim, Sung-Jin; Desai, Aesha; Lee, Namgyu; Kim, Dohoon; Bae, Yongho; Lee, Kwonmoo

2018-04-27

Cell protrusion is morphodynamically heterogeneous at the subcellular level. However, the mechanism of cell protrusion has been understood based on the ensemble average of actin regulator dynamics. Here, we establish a computational framework called HACKS (deconvolution of heterogeneous activity in coordination of cytoskeleton at the subcellular level) to deconvolve the subcellular heterogeneity of lamellipodial protrusion from live cell imaging. HACKS identifies distinct subcellular protrusion phenotypes based on machine-learning algorithms and reveals their underlying actin regulator dynamics at the leading edge. Using our method, we discover "accelerating protrusion", which is driven by the temporally ordered coordination of Arp2/3 and VASP activities. We validate our finding by pharmacological perturbations and further identify the fine regulation of Arp2/3 and VASP recruitment associated with accelerating protrusion. Our study suggests HACKS can identify specific subcellular protrusion phenotypes susceptible to pharmacological perturbation and reveal how actin regulator dynamics are changed by the perturbation.

The Stark Effect on the Wave Function of Tritium in Relativistic Condition

NASA Astrophysics Data System (ADS)

Supriadi, B.; Prastowo, S. H. B.; Bahri, S.; Ridlo, Z. R.; Prihandono, T.

2018-03-01

Tritium Atom is one of the isotopes of Hydrogen that has two Neutrons in the nucleus and an electron that surrounds the nucleus. The Stark Effect is an effect of a shift or polarization of the atomic spectrum caused by the external electrostatic field. The interaction between the electrons and the external electric field can be reviewed using an approximation method of perturbation theory. The perturbation theory used is a time Independent non-degenerate perturbation and reviewed to second order to obtain correction of Tritium Atomic wave function. The condition that used in the system is a relativistic condition by reviewing the movement of electrons within the Atom. The effects of relativity also affect the correction of the wave function of Atom Tritium in the ground state. Tritium is radioactive material that is still relatively safe, and one of the applications of Tritium Atom is on the battery of betavoltaics (Nano Tritium Battery).

Non-rigid precession of magnetic stars

NASA Astrophysics Data System (ADS)

Lander, S. K.; Jones, D. I.

2017-06-01

Stars are, generically, rotating and magnetized objects with a misalignment between their magnetic and rotation axes. Since a magnetic field induces a permanent distortion to its host, it provides effective rigidity even to a fluid star, leading to bulk stellar motion that resembles free precession. This bulk motion is, however, accompanied by induced interior velocity and magnetic field perturbations, which are oscillatory on the precession time-scale. Extending previous work, we show that these quantities are described by a set of second-order perturbation equations featuring cross-terms scaling with the product of the magnetic and centrifugal distortions to the star. For the case of a background toroidal field, we reduce these to a set of differential equations in radial functions, and find a method for their solution. The resulting magnetic field and velocity perturbations show complex multipolar structure and are strongest towards the centre of the star.

A new perturbative approach to nonlinear partial differential equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bender, C.M.; Boettcher, S.; Milton, K.A.

1991-11-01

This paper shows how to solve some nonlinear wave equations as perturbation expansions in powers of a parameter that expresses the degree of nonlinearity. For the case of the Burgers equation {ital u}{sub {ital t}}+{ital uu}{sub {ital x}}={ital u}{sub {ital xx}}, the general nonlinear equation {ital u}{sub {ital t}}+{ital u}{sup {delta}}{ital u}{sub {ital x}}={ital u}{sub {ital xx}} is considered and expanded in powers of {delta}. The coefficients of the {delta} series to sixth order in powers of {delta} is determined and Pade summation is used to evaluate the perturbation series for large values of {delta}. The numerical results are accuratemore » and the method is very general; it applies to other well-studied partial differential equations such as the Korteweg--de Vries equation, {ital u}{sub {ital t}}+{ital uu}{sub {ital x}} ={ital u}{sub {ital xxx}}.« less

Resummation of divergent perturbation series: Application to the vibrational states of H2CO molecule

NASA Astrophysics Data System (ADS)

Duchko, A. N.; Bykov, A. D.

2015-10-01

Large-order Rayleigh-Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H2CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ˜5000 cm-1), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.

Resummation of divergent perturbation series: Application to the vibrational states of H2CO molecule.

PubMed

Duchko, A N; Bykov, A D

2015-10-21

Large-order Rayleigh-Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H2CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm(-1)), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.

Singular perturbation analysis of AOTV-related trajectory optimization problems

NASA Technical Reports Server (NTRS)

Calise, Anthony J.; Bae, Gyoung H.

1990-01-01

The problem of real time guidance and optimal control of Aeroassisted Orbit Transfer Vehicles (AOTV's) was addressed using singular perturbation theory as an underlying method of analysis. Trajectories were optimized with the objective of minimum energy expenditure in the atmospheric phase of the maneuver. Two major problem areas were addressed: optimal reentry, and synergetic plane change with aeroglide. For the reentry problem, several reduced order models were analyzed with the objective of optimal changes in heading with minimum energy loss. It was demonstrated that a further model order reduction to a single state model is possible through the application of singular perturbation theory. The optimal solution for the reduced problem defines an optimal altitude profile dependent on the current energy level of the vehicle. A separate boundary layer analysis is used to account for altitude and flight path angle dynamics, and to obtain lift and bank angle control solutions. By considering alternative approximations to solve the boundary layer problem, three guidance laws were derived, each having an analytic feedback form. The guidance laws were evaluated using a Maneuvering Reentry Research Vehicle model and all three laws were found to be near optimal. For the problem of synergetic plane change with aeroglide, a difficult terminal boundary layer control problem arises which to date is found to be analytically intractable. Thus a predictive/corrective solution was developed to satisfy the terminal constraints on altitude and flight path angle. A composite guidance solution was obtained by combining the optimal reentry solution with the predictive/corrective guidance method. Numerical comparisons with the corresponding optimal trajectory solutions show that the resulting performance is very close to optimal. An attempt was made to obtain numerically optimized trajectories for the case where heating rate is constrained. A first order state variable inequality constraint was imposed on the full order AOTV point mass equations of motion, using a simple aerodynamic heating rate model.

Singular perturbation and time scale approaches in discrete control systems

NASA Technical Reports Server (NTRS)

Naidu, D. S.; Price, D. B.

1988-01-01

After considering a singularly perturbed discrete control system, a singular perturbation approach is used to obtain outer and correction subsystems. A time scale approach is then applied via block diagonalization transformations to decouple the system into slow and fast subsystems. To a zeroth-order approximation, the singular perturbation and time-scale approaches are found to yield equivalent results.

Eigenmode computation of cavities with perturbed geometry using matrix perturbation methods applied on generalized eigenvalue problems

NASA Astrophysics Data System (ADS)

Gorgizadeh, Shahnam; Flisgen, Thomas; van Rienen, Ursula

2018-07-01

Generalized eigenvalue problems are standard problems in computational sciences. They may arise in electromagnetic fields from the discretization of the Helmholtz equation by for example the finite element method (FEM). Geometrical perturbations of the structure under concern lead to a new generalized eigenvalue problems with different system matrices. Geometrical perturbations may arise by manufacturing tolerances, harsh operating conditions or during shape optimization. Directly solving the eigenvalue problem for each perturbation is computationally costly. The perturbed eigenpairs can be approximated using eigenpair derivatives. Two common approaches for the calculation of eigenpair derivatives, namely modal superposition method and direct algebraic methods, are discussed in this paper. Based on the direct algebraic methods an iterative algorithm is developed for efficiently calculating the eigenvalues and eigenvectors of the perturbed geometry from the eigenvalues and eigenvectors of the unperturbed geometry.

UV conformal window for asymptotic safety

NASA Astrophysics Data System (ADS)

Bond, Andrew D.; Litim, Daniel F.; Vazquez, Gustavo Medina; Steudtner, Tom

2018-02-01

Interacting fixed points in four-dimensional gauge theories coupled to matter are investigated using perturbation theory up to three loop order. It is shown how fixed points, scaling exponents, and anomalous dimensions are obtained as a systematic power series in a small parameter. The underlying ordering principle is explained and contrasted with conventional perturbation theory and Weyl consistency conditions. We then determine the conformal window with asymptotic safety from the complete next-to-next-to-leading order in perturbation theory. Limits for the conformal window arise due to fixed point mergers, the onset of strong coupling, or vacuum instability. A consistent picture is uncovered by comparing various levels of approximation. The theory remains perturbative in the entire conformal window, with vacuum stability dictating the tightest constraints. We also speculate about a secondary conformal window at strong coupling and estimate its lower limit. Implications for model building and cosmology are indicated.

Cosmological perturbations in mimetic Horndeski gravity

NASA Astrophysics Data System (ADS)

Arroja, Frederico; Bartolo, Nicola; Karmakar, Purnendu; Matarrese, Sabino

2016-04-01

We study linear scalar perturbations around a flat FLRW background in mimetic Horndeski gravity. In the absence of matter, we show that the Newtonian potential satisfies a second-order differential equation with no spatial derivatives. This implies that the sound speed for scalar perturbations is exactly zero on this background. We also show that in mimetic G3 theories the sound speed is equally zero. We obtain the equation of motion for the comoving curvature perturbation (first order differential equation) and solve it to find that the comoving curvature perturbation is constant on all scales in mimetic Horndeski gravity. We find solutions for the Newtonian potential evolution equation in two simple models. Finally we show that the sound speed is zero on all backgrounds and therefore the system does not have any wave-like scalar degrees of freedom.

Deconstructing zero: resurgence, supersymmetry and complex saddles

DOE PAGES

Dunne, Gerald V.; Ünsal, Mithat

2016-12-01

We explain how a vanishing, or truncated, perturbative expansion, such as often arises in semi-classically tractable supersymmetric theories, can nevertheless be related to fluctuations about non-perturbative sectors via resurgence. We also demonstrate that, in the same class of theories, the vanishing of the ground state energy (unbroken supersymmetry) can be attributed to the cancellation between a real saddle and a complex saddle (with hidden topological angle π), and positivity of the ground state energy (broken supersymmetry) can be interpreted as the dominance of complex saddles. In either case, despite the fact that the ground state energy is zero to allmore » orders in perturbation theory, all orders of fluctuations around non-perturbative saddles are encoded in the perturbative E (N, g). Finally, we illustrate these ideas with examples from supersymmetric quantum mechanics and quantum field theory.« less

Advanced Small Perturbation Potential Flow Theory for Unsteady Aerodynamic and Aeroelastic Analyses

NASA Technical Reports Server (NTRS)

Batina, John T.

2005-01-01

An advanced small perturbation (ASP) potential flow theory has been developed to improve upon the classical transonic small perturbation (TSP) theories that have been used in various computer codes. These computer codes are typically used for unsteady aerodynamic and aeroelastic analyses in the nonlinear transonic flight regime. The codes exploit the simplicity of stationary Cartesian meshes with the movement or deformation of the configuration under consideration incorporated into the solution algorithm through a planar surface boundary condition. The new ASP theory was developed methodically by first determining the essential elements required to produce full-potential-like solutions with a small perturbation approach on the requisite Cartesian grid. This level of accuracy required a higher-order streamwise mass flux and a mass conserving surface boundary condition. The ASP theory was further developed by determining the essential elements required to produce results that agreed well with Euler solutions. This level of accuracy required mass conserving entropy and vorticity effects, and second-order terms in the trailing wake boundary condition. Finally, an integral boundary layer procedure, applicable to both attached and shock-induced separated flows, was incorporated for viscous effects. The resulting ASP potential flow theory, including entropy, vorticity, and viscous effects, is shown to be mathematically more appropriate and computationally more accurate than the classical TSP theories. The formulaic details of the ASP theory are described fully and the improvements are demonstrated through careful comparisons with accepted alternative results and experimental data. The new theory has been used as the basis for a new computer code called ASP3D (Advanced Small Perturbation - 3D), which also is briefly described with representative results.

The orbit of asteroid (99942) Apophis as determined from optical and radar observations

NASA Astrophysics Data System (ADS)

Vinogradova, T. A.; Kochetova, O. M.; Chernetenko, Yu. A.; Shor, V. A.; Yagudina, E. I.

2008-08-01

The results of improving the orbit accuracy for the asteroid Apophis and the circumstances of its approach to Earth in 2029 are described. Gravitational perturbations from all of the major planets and Pluto, Ceres, Pallas, and Vesta are taken into account in the equations of motion of the asteroid. Relativistic perturbations from the Sun and perturbations due to the oblateness of the Sun and Earth and due to the light pressure are also included in the model. Perturbations from the Earth and Moon are considered separately. The coordinates of the perturbing bodies are calculated using DE405. The phase correction and the gravitational deflection of light are taken into account. The numerical integration of the equations of motion and equations in variations is performed by the 15th-order Everhart method. The error of the numerical integration over the 2005 2029 interval, estimated using forward and backward computations, is not more than 3 × 10-11 AU. Improved coordinates and velocities at epoch JD2454200.5 (April 10, 2007) were obtained applying the weighted leastsquares fit. For the period from March 15, 2004, to August 16, 2006, 989 optical and 7 radar observations were used. The resulting system represents the optical observations with an error of 0.37 (66 conditional equations were rejected). The residuals of the radar observations are an order, or more, smaller than their errors. The system of Apophis’ elements and the estimates of their precision obtained in this study are in perfect agreement with the results published by other authors. The minimum Apophis-Earth distance is about 38 200 km on April 13, 2029. This estimate agrees to within 20 km with those calculated based on other published systems of elements. The effect of some model components on the minimum distance is estimated.

Impact of Complex-Valued Energy Function Singularities on the Behaviour of RAYLEIGH-SCHRöDINGER Perturbation Series. H_2CO Molecule Vibrational Energy Spectrum.

NASA Astrophysics Data System (ADS)

Duchko, Andrey; Bykov, Alexandr

2015-06-01

Nowadays the task of spectra processing is as relevant as ever in molecular spectroscopy. Nevertheless, existing techniques of vibrational energy levels and wave functions computation often come to a dead-lock. Application of standard quantum-mechanical approaches often faces inextricable difficulties. Variational method requires unimaginable computational performance. On the other hand perturbational approaches beat against divergent series. That's why this problem faces an urgent need in application of specific resummation techniques. In this research Rayleigh-Schrödinger perturbation theory is applied to vibrational energy levels calculation of excited vibrational states of H_2CO. It is known that perturbation series diverge in the case of anharmonic resonance coupling between vibrational states [1]. Nevertheless, application of advanced divergent series summation techniques makes it possible to calculate the value of energy with high precision (more than 10 true digits) even for highly excited states of the molecule [2]. For this purposes we have applied several summation techniques based on high-order Pade-Hermite approximations. Our research shows that series behaviour completely depends on the singularities of complex energy function inside unit circle. That's why choosing an approximation function modelling this singularities allows to calculate the sum of divergent series. Our calculations for formaldehyde molecule show that the efficiency of each summation technique depends on the resonant type. REFERENCES 1. J. Cizek, V. Spirko, and O. Bludsky, ON THE USE OF DIVERGENT SERIES IN VIBRATIONAL SPECTROSCOPY. TWO- AND THREE-DIMENSIONAL OSCILLATORS, J. Chem. Phys. 99, 7331 (1993). 2. A. V. Sergeev and D. Z. Goodson, SINGULARITY ANALYSIS OF FOURTH-ORDER MöLLER-PLESSET PERTURBATION THEORY, J. Chem. Phys. 124, 4111 (2006).

Control optimization, stabilization and computer algorithms for aircraft applications

NASA Technical Reports Server (NTRS)

1975-01-01

Research related to reliable aircraft design is summarized. Topics discussed include systems reliability optimization, failure detection algorithms, analysis of nonlinear filters, design of compensators incorporating time delays, digital compensator design, estimation for systems with echoes, low-order compensator design, descent-phase controller for 4-D navigation, infinite dimensional mathematical programming problems and optimal control problems with constraints, robust compensator design, numerical methods for the Lyapunov equations, and perturbation methods in linear filtering and control.

A Realtime Active Feedback Control System For Coupled Nonlinear Chemical Oscillators

NASA Astrophysics Data System (ADS)

Tompkins, Nathan; Fraden, Seth

2012-02-01

We study the manipulation and control of oscillatory networks. As a model system we use an emulsion of Belousov-Zhabotinsky (BZ) oscillators packed on a hexagonal lattice. Each drop is observed and perturbed by a Programmable Illumination Microscope (PIM). The PIM allows us to track individual BZ oscillators, calculate the phase and order parameters of every drop, and selectively perturb specific drops with photo illumination, all in realtime. To date we have determined the native attractor patterns for drops in 1D arrays and 2D hexagonal packing as a function of coupling strength as well as determined methods to move the system from one attractor basin to another. Current work involves implementing these attractor control methods with our experimental system and future work will likely include implementing a model neural network for use with photo controllable BZ emulsions.

Study of modal coupling procedures for the shuttle: A matrix method for damping synthesis

NASA Technical Reports Server (NTRS)

Hasselman, T. K.

1972-01-01

The damping method was applied successfully to real structures as well as analytical models. It depends on the ability to determine an appropriate modal damping matrix for each substructure. In the past, modal damping matrices were assumed diagonal for lack of being able to determine the coupling terms which are significant in the general case of nonproportional damping. This problem was overcome by formulating the damped equations of motion as a linear perturbation of the undamped equations for light structural damping. Damped modes are defined as complex vectors derived from the complex frequency response vectors of each substructure and are obtained directly from sinusoidal vibration tests. The damped modes are used to compute first order approximations to the modal damping matrices. The perturbation approach avoids ever having to solve a complex eigenvalue problem.

Microscopic Lagrangian description of warm plasmas. I - Linear wave propagation. II - Nonlinear wave interactions

NASA Technical Reports Server (NTRS)

Kim, H.; Crawford, F. W.

1977-01-01

It is pointed out that the conventional iterative analysis of nonlinear plasma wave phenomena, which involves a direct use of Maxwell's equations and the equations describing the particle dynamics, leads to formidable theoretical and algebraic complexities, especially for warm plasmas. As an effective alternative, the Lagrangian method may be applied. It is shown how this method may be used in the microscopic description of small-signal wave propagation and in the study of nonlinear wave interactions. The linear theory is developed for an infinite, homogeneous, collisionless, warm magnetoplasma. A summary is presented of a perturbation expansion scheme described by Galloway and Kim (1971), and Lagrangians to third order in perturbation are considered. Attention is given to the averaged-Lagrangian density, the action-transfer and coupled-mode equations, and the general solution of the coupled-mode equations.

A new method of intermediate orbit determination based on range and range rate measurements at three times. (Russian Title: Новый метод определения промежуточной орбиты по измерениям дальности и скорости ее изменения в три момента времени)

NASA Astrophysics Data System (ADS)

Shefer, V. A.

2013-12-01

A new method is proposed for computing the preliminary orbit of a small celestial body from three pairs of range and range rate observations. The method is based on using the superosculating intermediate orbit with a fourth-order tangency that we previously constructed. This intermediate orbit allows for most of the perturbations in the motion of the body under study. The methodical error of orbit determination by the proposed method is three orders smaller than the corresponding error of the commonly used approach based on the construction of the unperturbed Keplerian orbit. Using the examples of finding the orbits of artificial Earth satellites, the results obtained by the procedure implementing the traditional approach and the new method are compared. The comparison shows that the new method is a highly efficient means for studying perturbed motion.

Nuclear magnetic shielding in boronlike ions

NASA Astrophysics Data System (ADS)

Volchkova, A. M.; Varentsova, A. S.; Zubova, N. A.; Agababaev, V. A.; Glazov, D. A.; Volotka, A. V.; Shabaev, V. M.; Plunien, G.

2017-10-01

The relativistic treatment of the nuclear magnetic shielding effect in boronlike ions is presented. The leading-order contribution of the magnetic-dipole hyperfine interaction is calculated. Along with the standard second-order perturbation theory expression, the solutions of the Dirac equation in the presence of magnetic field are employed. All methods are found to be in agreement with each other and with the previous calculations for hydrogenlike and lithiumlike ions. The effective screening potential is used to account approximately for the interelectronic interaction.

Computational helioseismology in the frequency domain: acoustic waves in axisymmetric solar models with flows

NASA Astrophysics Data System (ADS)

Gizon, Laurent; Barucq, Hélène; Duruflé, Marc; Hanson, Chris S.; Leguèbe, Michael; Birch, Aaron C.; Chabassier, Juliette; Fournier, Damien; Hohage, Thorsten; Papini, Emanuele

2017-04-01

Context. Local helioseismology has so far relied on semi-analytical methods to compute the spatial sensitivity of wave travel times to perturbations in the solar interior. These methods are cumbersome and lack flexibility. Aims: Here we propose a convenient framework for numerically solving the forward problem of time-distance helioseismology in the frequency domain. The fundamental quantity to be computed is the cross-covariance of the seismic wavefield. Methods: We choose sources of wave excitation that enable us to relate the cross-covariance of the oscillations to the Green's function in a straightforward manner. We illustrate the method by considering the 3D acoustic wave equation in an axisymmetric reference solar model, ignoring the effects of gravity on the waves. The symmetry of the background model around the rotation axis implies that the Green's function can be written as a sum of longitudinal Fourier modes, leading to a set of independent 2D problems. We use a high-order finite-element method to solve the 2D wave equation in frequency space. The computation is embarrassingly parallel, with each frequency and each azimuthal order solved independently on a computer cluster. Results: We compute travel-time sensitivity kernels in spherical geometry for flows, sound speed, and density perturbations under the first Born approximation. Convergence tests show that travel times can be computed with a numerical precision better than one millisecond, as required by the most precise travel-time measurements. Conclusions: The method presented here is computationally efficient and will be used to interpret travel-time measurements in order to infer, e.g., the large-scale meridional flow in the solar convection zone. It allows the implementation of (full-waveform) iterative inversions, whereby the axisymmetric background model is updated at each iteration.

Floating phase in the one-dimensional transverse axial next-nearest-neighbor Ising model.

PubMed

Chandra, Anjan Kumar; Dasgupta, Subinay

2007-02-01

To study the ground state of an axial next-nearest-neighbor Ising chain under transverse field as a function of frustration parameter kappa and field strength Gamma, we present here two different perturbative analyses. In one, we consider the (known) ground state at kappa=0.5 and Gamma=0 as the unperturbed state and treat an increase of the field from 0 to Gamma coupled with an increase of kappa from 0.5 to 0.5+rGamma/J as perturbation. The first-order perturbation correction to eigenvalue can be calculated exactly and we could conclude that there are only two phase-transition lines emanating from the point kappa=0.5, Gamma=0. In the second perturbation scheme, we consider the number of domains of length 1 as the perturbation and obtain the zeroth-order eigenfunction for the perturbed ground state. From the longitudinal spin-spin correlation, we conclude that floating phase exists for small values of transverse field over the entire region intermediate between the ferromagnetic phase and antiphase.

New approach to CT pixel-based photon dose calculations in heterogeneous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wong, J.W.; Henkelman, R.M.

The effects of small cavities on dose in water and the dose in a homogeneous nonunit density medium illustrate that inhomogeneities do not act independently in photon dose perturbation, and serve as two constraints which should be satisfied by approximate methods of computed tomography (CT) pixel-based dose calculations. Current methods at best satisfy only one of the two constraints and show inadequacies in some intermediate geometries. We have developed an approximate method that satisfies both these constraints and treats much of the synergistic effect of multiple inhomogeneities correctly. The method calculates primary and first-scatter doses by first-order ray tracing withmore » the first-scatter contribution augmented by a component of second scatter that behaves like first scatter. Multiple-scatter dose perturbation values extracted from small cavity experiments are used in a function which approximates the small residual multiple-scatter dose. For a wide range of geometries tested, our method agrees very well with measurements. The average deviation is less than 2% with a maximum of 3%. In comparison, calculations based on existing methods can have errors larger than 10%.« less

A hybrid perturbation Galerkin technique with applications to slender body theory

NASA Technical Reports Server (NTRS)

Geer, James F.; Andersen, Carl M.

1989-01-01

A two-step hybrid perturbation-Galerkin method to solve a variety of applied mathematics problems which involve a small parameter is presented. The method consists of: (1) the use of a regular or singular perturbation method to determine the asymptotic expansion of the solution in terms of the small parameter; (2) construction of an approximate solution in the form of a sum of the perturbation coefficient functions multiplied by (unknown) amplitudes (gauge functions); and (3) the use of the classical Bubnov-Galerkin method to determine these amplitudes. This hybrid method has the potential of overcoming some of the drawbacks of the perturbation method and the Bubnov-Galerkin method when they are applied by themselves, while combining some of the good features of both. The proposed method is applied to some singular perturbation problems in slender body theory. The results obtained from the hybrid method are compared with approximate solutions obtained by other methods, and the degree of applicability of the hybrid method to broader problem areas is discussed.

A hybrid perturbation Galerkin technique with applications to slender body theory

NASA Technical Reports Server (NTRS)

Geer, James F.; Andersen, Carl M.

1987-01-01

A two step hybrid perturbation-Galerkin method to solve a variety of applied mathematics problems which involve a small parameter is presented. The method consists of: (1) the use of a regular or singular perturbation method to determine the asymptotic expansion of the solution in terms of the small parameter; (2) construction of an approximate solution in the form of a sum of the perturbation coefficient functions multiplied by (unknown) amplitudes (gauge functions); and (3) the use of the classical Bubnov-Galerkin method to determine these amplitudes. This hybrid method has the potential of overcoming some of the drawbacks of the perturbation method and the Bubnov-Galerkin method when they are applied by themselves, while combining some of the good features of both. The proposed method is applied to some singular perturbation problems in slender body theory. The results obtained from the hybrid method are compared with approximate solutions obtained by other methods, and the degree of applicability of the hybrid method to broader problem areas is discussed.

A Multipixel Time Series Analysis Method Accounting for Ground Motion, Atmospheric Noise, and Orbital Errors

NASA Astrophysics Data System (ADS)

Jolivet, R.; Simons, M.

2018-02-01

Interferometric synthetic aperture radar time series methods aim to reconstruct time-dependent ground displacements over large areas from sets of interferograms in order to detect transient, periodic, or small-amplitude deformation. Because of computational limitations, most existing methods consider each pixel independently, ignoring important spatial covariances between observations. We describe a framework to reconstruct time series of ground deformation while considering all pixels simultaneously, allowing us to account for spatial covariances, imprecise orbits, and residual atmospheric perturbations. We describe spatial covariances by an exponential decay function dependent of pixel-to-pixel distance. We approximate the impact of imprecise orbit information and residual long-wavelength atmosphere as a low-order polynomial function. Tests on synthetic data illustrate the importance of incorporating full covariances between pixels in order to avoid biased parameter reconstruction. An example of application to the northern Chilean subduction zone highlights the potential of this method.

Extension of the root-locus method to a certain class of fractional-order systems.

PubMed

Merrikh-Bayat, Farshad; Afshar, Mahdi; Karimi-Ghartemani, Masoud

2009-01-01

In this paper, the well-known root-locus method is developed for the special subset of linear time-invariant systems commonly known as fractional-order systems. Transfer functions of these systems are rational functions with polynomials of rational powers of the Laplace variable s. Such systems are defined on a Riemann surface because of their multi-valued nature. A set of rules for plotting the root loci on the first Riemann sheet is presented. The important features of the classical root-locus method such as asymptotes, roots condition on the real axis and breakaway points are extended to the fractional case. It is also shown that the proposed method can assess the closed-loop stability of fractional-order systems in the presence of a varying gain in the loop. Moreover, the effect of perturbation on the root loci is discussed. Three illustrative examples are presented to confirm the effectiveness of the proposed algorithm.

Hybrid Evidence Theory-based Finite Element/Statistical Energy Analysis method for mid-frequency analysis of built-up systems with epistemic uncertainties

NASA Astrophysics Data System (ADS)

Yin, Shengwen; Yu, Dejie; Yin, Hui; Lü, Hui; Xia, Baizhan

2017-09-01

Considering the epistemic uncertainties within the hybrid Finite Element/Statistical Energy Analysis (FE/SEA) model when it is used for the response analysis of built-up systems in the mid-frequency range, the hybrid Evidence Theory-based Finite Element/Statistical Energy Analysis (ETFE/SEA) model is established by introducing the evidence theory. Based on the hybrid ETFE/SEA model and the sub-interval perturbation technique, the hybrid Sub-interval Perturbation and Evidence Theory-based Finite Element/Statistical Energy Analysis (SIP-ETFE/SEA) approach is proposed. In the hybrid ETFE/SEA model, the uncertainty in the SEA subsystem is modeled by a non-parametric ensemble, while the uncertainty in the FE subsystem is described by the focal element and basic probability assignment (BPA), and dealt with evidence theory. Within the hybrid SIP-ETFE/SEA approach, the mid-frequency response of interest, such as the ensemble average of the energy response and the cross-spectrum response, is calculated analytically by using the conventional hybrid FE/SEA method. Inspired by the probability theory, the intervals of the mean value, variance and cumulative distribution are used to describe the distribution characteristics of mid-frequency responses of built-up systems with epistemic uncertainties. In order to alleviate the computational burdens for the extreme value analysis, the sub-interval perturbation technique based on the first-order Taylor series expansion is used in ETFE/SEA model to acquire the lower and upper bounds of the mid-frequency responses over each focal element. Three numerical examples are given to illustrate the feasibility and effectiveness of the proposed method.

SCISEAL: A CFD code for analysis of fluid dynamic forces in seals

NASA Technical Reports Server (NTRS)

Athavale, Mahesh; Przekwas, Andrzej

1994-01-01

A viewgraph presentation is made of the objectives, capabilities, and test results of the computer code SCISEAL. Currently, the seal code has: a finite volume, pressure-based integration scheme; colocated variables with strong conservation approach; high-order spatial differencing, up to third-order; up to second-order temporal differencing; a comprehensive set of boundary conditions; a variety of turbulence models and surface roughness treatment; moving grid formulation for arbitrary rotor whirl; rotor dynamic coefficients calculated by the circular whirl and numerical shaker methods; and small perturbation capabilities to handle centered and eccentric seals.

Rotordynamic coefficients for labyrinth seals calculated by means of a finite difference technique

NASA Technical Reports Server (NTRS)

Nordmann, R.; Weiser, P.

1989-01-01

The compressible, turbulent, time dependent and three dimensional flow in a labyrinth seal can be described by the Navier-Stokes equations in conjunction with a turbulence model. Additionally, equations for mass and energy conservation and an equation of state are required. To solve these equations, a perturbation analysis is performed yielding zeroth order equations for centric shaft position and first order equations describing the flow field for small motions around the seal center. For numerical solution a finite difference method is applied to the zeroth and first order equations resulting in leakage and dynamic seal coefficients respectively.

Relativistic effects on the bonding and properties of the hydrides of platinum

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.

1993-01-01

The ground state of PtH2 and several low-lying states of PtH(+) and PtH have been studied at the all-electron self-consistent-field level of theory to examine the importance of relativistic effects. The results of calculations based on Dirac-Hartree-Fock theory, nonrelativistic theory, and the spin-free no-pair relativistic approximation of Hess are compared to separate the effects of the spin-free terms and the spin-orbit terms of the Hamiltonian on the relativistic corrections to the molecular properties. Comparison is also made between first-order perturbation theory including the one-electron spin-free terms and the method of Hess to determine the size of effects beyond first order. It is found that the spin-orbit interaction significantly affects the properties and energetics of these molecules because of the participation of the Pt 5d orbitals in the bonding, and that effects beyond first order in perturbation theory are large. Any treatment of Pt compounds will have to include both the spin-free and spin-orbit interactions for an accurate description.

The fifth-order partial differential equation for the description of the α + β Fermi-Pasta-Ulam model

NASA Astrophysics Data System (ADS)

Kudryashov, Nikolay A.; Volkov, Alexandr K.

2017-01-01

We study a new nonlinear partial differential equation of the fifth order for the description of perturbations in the Fermi-Pasta-Ulam mass chain. This fifth-order equation is an expansion of the Gardner equation for the description of the Fermi-Pasta-Ulam model. We use the potential of interaction between neighbouring masses with both quadratic and cubic terms. The equation is derived using the continuous limit. Unlike the previous works, we take into account higher order terms in the Taylor series expansions. We investigate the equation using the Painlevé approach. We show that the equation does not pass the Painlevé test and can not be integrated by the inverse scattering transform. We use the logistic function method and the Laurent expansion method to find travelling wave solutions of the fifth-order equation. We use the pseudospectral method for the numerical simulation of wave processes, described by the equation.

An approach for finding long period elliptical orbits for precursor SEI missions

NASA Technical Reports Server (NTRS)

Fraietta, Michael F.; Bond, Victor R.

1993-01-01

Precursors for Solar System Exploration Initiative (SEI) missions may require long period elliptical orbits about a planet. These orbits will typically have periods on the order of tens to hundreds of days. Some potential uses for these orbits may include the following: studying the effects of galactic cosmic radiation, parking orbits for engineering and operational test of systems, and ferrying orbits between libration points and low altitude orbits. This report presents an approach that can be used to find these orbits. The approach consists of three major steps. First, it uses a restricted three-body targeting algorithm to determine the initial conditions which satisfy certain desired final conditions in a system of two massive primaries. Then the initial conditions are transformed to an inertial coordinate system for use by a special perturbation method. Finally, using the special perturbation method, other perturbations (e.g., sun third body and solar radiation pressure) can be easily incorporated to determine their effects on the nominal trajectory. An algorithm potentially suitable for on-board guidance will also be discussed. This algorithm uses an analytic method relying on Chebyshev polynomials to compute the desired position and velocity of the satellite as a function of time. Together with navigation updates, this algorithm can be implemented to predict the size and timing for AV corrections.

A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory.

PubMed

Wong, Kin-Yiu; Gao, Jiali

2008-09-09

In this paper, we describe an automated integration-free path-integral (AIF-PI) method, based on Kleinert's variational perturbation (KP) theory, to treat internuclear quantum-statistical effects in molecular systems. We have developed an analytical method to obtain the centroid potential as a function of the variational parameter in the KP theory, which avoids numerical difficulties in path-integral Monte Carlo or molecular dynamics simulations, especially at the limit of zero-temperature. Consequently, the variational calculations using the KP theory can be efficiently carried out beyond the first order, i.e., the Giachetti-Tognetti-Feynman-Kleinert variational approach, for realistic chemical applications. By making use of the approximation of independent instantaneous normal modes (INM), the AIF-PI method can readily be applied to many-body systems. Previously, we have shown that in the INM approximation, the AIF-PI method is accurate for computing the quantum partition function of a water molecule (3 degrees of freedom) and the quantum correction factor for the collinear H(3) reaction rate (2 degrees of freedom). In this work, the accuracy and properties of the KP theory are further investigated by using the first three order perturbations on an asymmetric double-well potential, the bond vibrations of H(2), HF, and HCl represented by the Morse potential, and a proton-transfer barrier modeled by the Eckart potential. The zero-point energy, quantum partition function, and tunneling factor for these systems have been determined and are found to be in excellent agreement with the exact quantum results. Using our new analytical results at the zero-temperature limit, we show that the minimum value of the computed centroid potential in the KP theory is in excellent agreement with the ground state energy (zero-point energy) and the position of the centroid potential minimum is the expectation value of particle position in wave mechanics. The fast convergent property of the KP theory is further examined in comparison with results from the traditional Rayleigh-Ritz variational approach and Rayleigh-Schrödinger perturbation theory in wave mechanics. The present method can be used for thermodynamic and quantum dynamic calculations, including to systematically determine the exact value of zero-point energy and to study kinetic isotope effects for chemical reactions in solution and in enzymes.

Large leptonic Dirac CP phase from broken democracy with random perturbations

NASA Astrophysics Data System (ADS)

Ge, Shao-Feng; Kusenko, Alexander; Yanagida, Tsutomu T.

2018-06-01

A large value of the leptonic Dirac CP phase can arise from broken democracy, where the mass matrices are democratic up to small random perturbations. Such perturbations are a natural consequence of broken residual S3 symmetries that dictate the democratic mass matrices at leading order. With random perturbations, the leptonic Dirac CP phase has a higher probability to attain a value around ± π / 2. Comparing with the anarchy model, broken democracy can benefit from residual S3 symmetries, and it can produce much better, realistic predictions for the mass hierarchy, mixing angles, and Dirac CP phase in both quark and lepton sectors. Our approach provides a general framework for a class of models in which a residual symmetry determines the general features at leading order, and where, in the absence of other fundamental principles, the symmetry breaking appears in the form of random perturbations.

Inhomogeneous Jacobi equation for minimal surfaces and perturbative change in holographic entanglement entropy

NASA Astrophysics Data System (ADS)

Ghosh, Avirup; Mishra, Rohit

2018-04-01

The change in holographic entanglement entropy (HEE) for small fluctuations about pure anti-de Sitter (AdS) is obtained by a perturbative expansion of the area functional in terms of the change in the bulk metric and the embedded extremal surface. However it is known that change in the embedding appears at second order or higher. It was shown that these changes in the embedding can be calculated in the 2 +1 dimensional case by solving a "generalized geodesic deviation equation." We generalize this result to arbitrary dimensions by deriving an inhomogeneous form of the Jacobi equation for minimal surfaces. The solutions of this equation map a minimal surface in a given space time to a minimal surface in a space time which is a perturbation over the initial space time. Using this we perturbatively calculate the changes in HEE up to second order for boosted black brane like perturbations over AdS4.

Stability derivatives for bodies of revolution at subsonic speeds

NASA Technical Reports Server (NTRS)

Liu, D. D.; Platzer, M. F.; Ruo, S. Y.

1976-01-01

The paper considers a rigid pointed body of revolution in a steady uniform subsonic flow. The body performs harmonic small-amplitude pitching oscillations around its zero angle of attack position. The body is assumed to be smooth and sufficiently slender so that the small perturbation concept can be applied. The basis of the method used, following Revell (1960), is the relation of a body-fixed perturbation potential to the general velocity potential. Normal force distributions as well as total force and moment coefficients are calculated for parabolic spindles and the numerical results show good agreement between Revell's second-order slender body theory and the present theory for the static stability derivatives of the parabolic spindles.

Recursive analytical solution describing artificial satellite motion perturbed by an arbitrary number of zonal terms

NASA Technical Reports Server (NTRS)

Mueller, A. C.

1977-01-01

An analytical first order solution has been developed which describes the motion of an artificial satellite perturbed by an arbitrary number of zonal harmonics of the geopotential. A set of recursive relations for the solution, which was deduced from recursive relations of the geopotential, was derived. The method of solution is based on Von-Zeipel's technique applied to a canonical set of two-body elements in the extended phase space which incorporates the true anomaly as a canonical element. The elements are of Poincare type, that is, they are regular for vanishing eccentricities and inclinations. Numerical results show that this solution is accurate to within a few meters after 500 revolutions.

Three-dimensional instability of standing waves

NASA Astrophysics Data System (ADS)

Zhu, Qiang; Liu, Yuming; Yue, Dick K. P.

2003-12-01

We investigate the three-dimensional instability of finite-amplitude standing surface waves under the influence of gravity. The analysis employs the transition matrix (TM) approach and uses a new high-order spectral element (HOSE) method for computation of the nonlinear wave dynamics. HOSE is an extension of the original high-order spectral method (HOS) wherein nonlinear wave wave and wave body interactions are retained up to high order in wave steepness. Instead of global basis functions in HOS, however, HOSE employs spectral elements to allow for complex free-surface geometries and surface-piercing bodies. Exponential convergence of HOS with respect to the total number of spectral modes (for a fixed number of elements) and interaction order is retained in HOSE. In this study, we use TM-HOSE to obtain the stability of general three-dimensional perturbations (on a two-dimensional surface) on two classes of standing waves: plane standing waves in a rectangular tank; and radial/azimuthal standing waves in a circular basin. For plane standing waves, we confirm the known result of two-dimensional side-bandlike instability. In addition, we find a novel three-dimensional instability for base flow of any amplitude. The dominant component of the unstable disturbance is an oblique (standing) wave oriented at an arbitrary angle whose frequency is close to the (nonlinear) frequency of the original standing wave. This finding is confirmed by direct long-time simulations using HOSE which show that the nonlinear evolution leads to classical Fermi Pasta Ulam recurrence. For the circular basin, we find that, beyond a threshold wave steepness, a standing wave (of nonlinear frequency Omega) is unstable to three-dimensional perturbations. The unstable perturbation contains two dominant (standing-wave) components, the sum of whose frequencies is close to 2Omega. From the cases we consider, the critical wave steepness is found to generally decrease/increase with increasing radial/azimuthal mode number of the base standing wave. Finally, we show that the instability we find for both two- and three-dimensional standing waves is a result of third-order (quartet) resonance.

New solitary wave and multiple soliton solutions for fifth order nonlinear evolution equation with time variable coefficients

NASA Astrophysics Data System (ADS)

Jaradat, H. M.; Syam, Muhammed; Jaradat, M. M. M.; Mustafa, Zead; Moman, S.

2018-03-01

In this paper, we investigate the multiple soliton solutions and multiple singular soliton solutions of a class of the fifth order nonlinear evolution equation with variable coefficients of t using the simplified bilinear method based on a transformation method combined with the Hirota's bilinear sense. In addition, we present analysis for some parameters such as the soliton amplitude and the characteristic line. Several equation in the literature are special cases of the class which we discuss such as Caudrey-Dodd-Gibbon equation and Sawada-Kotera. Comparison with several methods in the literature, such as Helmholtz solution of the inverse variational problem, rational exponential function method, tanh method, homotopy perturbation method, exp-function method, and coth method, are made. From these comparisons, we conclude that the proposed method is efficient and our solutions are correct. It is worth mention that the proposed solution can solve many physical problems.

Analysis of nonlinear axial vibration of single-walled carbon nanotubes using Homotopy perturbation method

NASA Astrophysics Data System (ADS)

Fatahi-Vajari, A.; Azimzadeh, Z.

2018-05-01

This paper investigates the nonlinear axial vibration of single-walled carbon nanotubes (SWCNTs) based on Homotopy perturbation method (HPM). A second order partial differential equation that governs the nonlinear axial vibration for such nanotubes is derived using doublet mechanics (DM) theory. To obtain the nonlinear natural frequency in axial vibration mode, this nonlinear equation is solved using HPM. The influences of some commonly used boundary conditions, amplitude of vibration, changes in vibration modes and variations of the nanotubes geometrical parameters on the nonlinear axial vibration characteristics of SWCNTs are discussed. It was shown that unlike the linear one, the nonlinear natural frequency is dependent to maximum vibration amplitude. Increasing the maximum vibration amplitude decreases the natural frequency of vibration compared to the predictions of the linear models. However, with increase in tube length, the effect of the amplitude on the natural frequency decreases. It was also shown that the amount and variation of nonlinear natural frequency is more apparent in higher mode vibration and two clamped boundary conditions. To show the accuracy and capability of this method, the results obtained herein were compared with the fourth order Runge-Kuta numerical results and good agreement was observed. It is notable that the results generated herein are new and can be served as a benchmark for future works.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Durrer, Ruth; Tansella, Vittorio, E-mail: ruth.durrer@unige.ch, E-mail: vittorio.tansella@unige.ch

We derive the contribution to relativistic galaxy number count fluctuations from vector and tensor perturbations within linear perturbation theory. Our result is consistent with the the relativistic corrections to number counts due to scalar perturbation, where the Bardeen potentials are replaced with line-of-sight projection of vector and tensor quantities. Since vector and tensor perturbations do not lead to density fluctuations the standard density term in the number counts is absent. We apply our results to vector perturbations which are induced from scalar perturbations at second order and give numerical estimates of their contributions to the power spectrum of relativistic galaxymore » number counts.« less

Stokes waves revisited: Exact solutions in the asymptotic limit

NASA Astrophysics Data System (ADS)

Davies, Megan; Chattopadhyay, Amit K.

2016-03-01

The Stokes perturbative solution of the nonlinear (boundary value dependent) surface gravity wave problem is known to provide results of reasonable accuracy to engineers in estimating the phase speed and amplitudes of such nonlinear waves. The weakling in this structure though is the presence of aperiodic "secular variation" in the solution that does not agree with the known periodic propagation of surface waves. This has historically necessitated increasingly higher-ordered (perturbative) approximations in the representation of the velocity profile. The present article ameliorates this long-standing theoretical insufficiency by invoking a compact exact n -ordered solution in the asymptotic infinite depth limit, primarily based on a representation structured around the third-ordered perturbative solution, that leads to a seamless extension to higher-order (e.g., fifth-order) forms existing in the literature. The result from this study is expected to improve phenomenological engineering estimates, now that any desired higher-ordered expansion may be compacted within the same representation, but without any aperiodicity in the spectral pattern of the wave guides.

On the effective field theory of intersecting D3-branes

NASA Astrophysics Data System (ADS)

Abbaspur, Reza

2018-05-01

We study the effective field theory of two intersecting D3-branes with one common dimension along the lines recently proposed in ref. [1]. We introduce a systematic way of deriving the classical effective action to arbitrary orders in perturbation theory. Using a proper renormalization prescription to handle logarithmic divergencies arising at all orders in the perturbation series, we recover the first order renormalization group equation of ref. [1] plus an infinite set of higher order equations. We show the consistency of the higher order equations with the first order one and hence interpret the first order result as an exact RG flow equation in the classical theory.

Systematic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Benchmark Study.

PubMed

Vogiatzis, Konstantinos D; Li Manni, Giovanni; Stoneburner, Samuel J; Ma, Dongxia; Gagliardi, Laura

2015-07-14

The applicability and accuracy of the generalized active space self-consistent field, (GASSCF), and (SplitGAS) methods are presented. The GASSCF method enables the exploration of larger active spaces than with the conventional complete active space SCF, (CASSCF), by fragmentation of a large space into subspaces and by controlling the interspace excitations. In the SplitGAS method, the GAS configuration interaction, CI, expansion is further partitioned in two parts: the principal, which includes the most important configuration state functions, and an extended, containing less relevant but not negligible ones. An effective Hamiltonian is then generated, with the extended part acting as a perturbation to the principal space. Excitation energies of ozone, furan, pyrrole, nickel dioxide, and copper tetrachloride dianion are reported. Various partitioning schemes of the GASSCF and SplitGAS CI expansions are considered and compared with the complete active space followed by second-order perturbation theory, (CASPT2), and multireference CI method, (MRCI), or available experimental data. General guidelines for the optimum applicability of these methods are discussed together with their current limitations.

Anomaly-free cosmological perturbations in effective canonical quantum gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barrau, Aurelien; Bojowald, Martin; Kagan, Mikhail

2015-05-01

This article lays out a complete framework for an effective theory of cosmological perturbations with corrections from canonical quantum gravity. Since several examples exist for quantum-gravity effects that change the structure of space-time, the classical perturbative treatment must be rethought carefully. The present discussion provides a unified picture of several previous works, together with new treatments of higher-order perturbations and the specification of initial states.

Implicit-Explicit Formulations of a Three-Dimensional Nonhydrostatic Unified Model of the Atmosphere (NUMA)

DTIC Science & Technology

2013-01-01

Gravity Wave. A slice of the potential temperature perturbation (at y=50 km) after 700 s for 30× 30× 5 elements with 4th-order polynomials . The contour...CONSTANTINESCU ‡ Key words. cloud-resolving model; compressible flow; element-based Galerkin methods; Euler; global model; IMEX; Lagrange; Legendre ...methods in terms of accuracy and efficiency for two types of geophysical fluid dynamics problems: buoyant convection and inertia- gravity waves. These

Resummation of divergent perturbation series: Application to the vibrational states of H{sub 2}CO molecule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duchko, A. N.; V.E. Zuev Institute of Atmospheric Optics, Tomsk; Bykov, A. D., E-mail: adbykov@rambler.ru

2015-10-21

Large-order Rayleigh–Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H{sub 2}CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonancemore » mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm{sup −1}), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.« less

Integrated analysis of particle interactions at hadron colliders Report of research activities in 2010-2015

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nadolsky, Pavel M.

2015-08-31

The report summarizes research activities of the project ”Integrated analysis of particle interactions” at Southern Methodist University, funded by 2010 DOE Early Career Research Award DE-SC0003870. The goal of the project is to provide state-of-the-art predictions in quantum chromodynamics in order to achieve objectives of the LHC program for studies of electroweak symmetry breaking and new physics searches. We published 19 journal papers focusing on in-depth studies of proton structure and integration of advanced calculations from different areas of particle phenomenology: multi-loop calculations, accurate long-distance hadronic functions, and precise numerical programs. Methods for factorization of QCD cross sections were advancedmore » in order to develop new generations of CTEQ parton distribution functions (PDFs), CT10 and CT14. These distributions provide the core theoretical input for multi-loop perturbative calculations by LHC experimental collaborations. A novel ”PDF meta-analysis” technique was invented to streamline applications of PDFs in numerous LHC simulations and to combine PDFs from various groups using multivariate stochastic sampling of PDF parameters. The meta-analysis will help to bring the LHC perturbative calculations to the new level of accuracy, while reducing computational efforts. The work on parton distributions was complemented by development of advanced perturbative techniques to predict observables dependent on several momentum scales, including production of massive quarks and transverse momentum resummation at the next-to-next-to-leading order in QCD.« less

Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene.

PubMed

Yagi, Kiyoshi; Otaki, Hiroki

2014-02-28

A perturbative extension to optimized coordinate vibrational self-consistent field (oc-VSCF) is proposed based on the quasi-degenerate perturbation theory (QDPT). A scheme to construct the degenerate space (P space) is developed, which incorporates degenerate configurations and alleviates the divergence of perturbative expansion due to localized coordinates in oc-VSCF (e.g., local O-H stretching modes of water). An efficient configuration selection scheme is also implemented, which screens out the Hamiltonian matrix element between the P space configuration (p) and the complementary Q space configuration (q) based on a difference in their quantum numbers (λpq = ∑s|ps - qs|). It is demonstrated that the second-order vibrational QDPT based on optimized coordinates (oc-VQDPT2) smoothly converges with respect to the order of the mode coupling, and outperforms the conventional one based on normal coordinates. Furthermore, an improved, fast algorithm is developed for optimizing the coordinates. First, the minimization of the VSCF energy is conducted in a restricted parameter space, in which only a portion of pairs of coordinates is selectively transformed. A rational index is devised for this purpose, which identifies the important coordinate pairs to mix from others that may remain unchanged based on the magnitude of harmonic coupling induced by the transformation. Second, a cubic force field (CFF) is employed in place of a quartic force field, which bypasses intensive procedures that arise due to the presence of the fourth-order force constants. It is found that oc-VSCF based on CFF together with the pair selection scheme yields the coordinates similar in character to the conventional ones such that the final vibrational energy is affected very little while gaining an order of magnitude acceleration. The proposed method is applied to ethylene and trans-1,3-butadiene. An accurate, multi-resolution potential, which combines the MP2 and coupled-cluster with singles, doubles, and perturbative triples level of electronic structure theory, is generated and employed in the oc-VQDPT2 calculation to obtain the fundamental tones as well as selected overtones/combination tones coupled to the fundamentals through the Fermi resonance. The calculated frequencies of ethylene and trans-1,3-butadiene are found to be in excellent agreement with the experimental values with a mean absolute error of 8 and 9 cm(-1), respectively.

Polarization effects on spectra of spherical core/shell nanostructures: Perturbation theory against finite difference approach

NASA Astrophysics Data System (ADS)

Ibral, Asmaa; Zouitine, Asmaa; Assaid, El Mahdi; El Achouby, Hicham; Feddi, El Mustapha; Dujardin, Francis

2015-02-01

Poisson equation is solved analytically in the case of a point charge placed anywhere in a spherical core/shell nanostructure, immersed in aqueous or organic solution or embedded in semiconducting or insulating matrix. Conduction and valence band-edge alignments between core and shell are described by finite height barriers. Influence of polarization charges induced at the surfaces where two adjacent materials meet is taken into account. Original expressions of electrostatic potential created everywhere in the space by a source point charge are derived. Expressions of self-polarization potential describing the interaction of a point charge with its own image-charge are deduced. Contributions of double dielectric constant mismatch to electron and hole ground state energies as well as nanostructure effective gap are calculated via first order perturbation theory and also by finite difference approach. Dependencies of electron, hole and gap energies against core to shell radii ratio are determined in the case of ZnS/CdSe core/shell nanostructure immersed in water or in toluene. It appears that finite difference approach is more efficient than first order perturbation method and that the effect of polarization charge may in no case be neglected as its contribution can reach a significant proportion of the value of nanostructure gap.

Slowly rotating homogeneous masses revisited

NASA Astrophysics Data System (ADS)

Reina, Borja

2016-02-01

Hartle's model for slowly rotating stars has been extensively used to compute equilibrium configurations of slowly rotating stars to second order in perturbation theory in general relativity, given a barotropic equation of state. A recent study based on the modern theory of perturbed matchings concludes that the functions in the (first and second order) perturbation tensors can always be taken as continuous at the surface of the star, except for the second-order function m0. This function presents a jump at the surface of the star proportional to the discontinuity of the energy density there. This concerns only a particular outcome of the model: the change in mass δM. In this paper, the amended change in mass is calculated for the case of constant density stars.

Comparison of two perturbation methods to estimate the land surface modeling uncertainty

NASA Astrophysics Data System (ADS)

Su, H.; Houser, P.; Tian, Y.; Kumar, S.; Geiger, J.; Belvedere, D.

2007-12-01

In land surface modeling, it is almost impossible to simulate the land surface processes without any error because the earth system is highly complex and the physics of the land processes has not yet been understood sufficiently. In most cases, people want to know not only the model output but also the uncertainty in the modeling, to estimate how reliable the modeling is. Ensemble perturbation is an effective way to estimate the uncertainty in land surface modeling, since land surface models are highly nonlinear which makes the analytical approach not applicable in this estimation. The ideal perturbation noise is zero mean Gaussian distribution, however, this requirement can't be satisfied if the perturbed variables in land surface model have physical boundaries because part of the perturbation noises has to be removed to feed the land surface models properly. Two different perturbation methods are employed in our study to investigate their impact on quantifying land surface modeling uncertainty base on the Land Information System (LIS) framework developed by NASA/GSFC land team. One perturbation method is the built-in algorithm named "STATIC" in LIS version 5; the other is a new perturbation algorithm which was recently developed to minimize the overall bias in the perturbation by incorporating additional information from the whole time series for the perturbed variable. The statistical properties of the perturbation noise generated by the two different algorithms are investigated thoroughly by using a large ensemble size on a NASA supercomputer and then the corresponding uncertainty estimates based on the two perturbation methods are compared. Their further impacts on data assimilation are also discussed. Finally, an optimal perturbation method is suggested.

Correlations in polymer blends: Simulations, perturbation theory, and coarse-grained theory

NASA Astrophysics Data System (ADS)

Chung, Jun Kyung

A thermodynamic perturbation theory of symmetric polymer blends is developed that properly accounts for the correlation in the spatial arrangement of monomers. By expanding the free energy of mixing in powers of a small parameter alpha which controls the incompatibility of two monomer species, we show that the perturbation theory has the form of the original Flory-Huggins theory, to first order in alpha. However, the lattice coordination number in the original theory is replaced by an effective coordination number. A random walk model for the effective coordination number is found to describe Monte Carlo simulation data very well. We also propose a way to estimate Flory-Huggins chi parameter by extrapolating the perturbation theory to the limit of a hypothetical system of infinitely long chains. The first order perturbation theory yields an accurate estimation of chi to first order in alpha. Going to second order, however, turns out to be more involved and an unambiguous determination of the coefficient of alpha2 term is not possible at the moment. Lastly, we test the predictions of a renormalized one-loop theory of fluctuations using two coarse-grained models of symmetric polymer blends at the critical composition. It is found that the theory accurately describes the correlation effect for relatively small values of chiN. In addition, the universality assumption of coarse-grained models is examined and we find results that are supportive of it.

A general theory of linear cosmological perturbations: scalar-tensor and vector-tensor theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lagos, Macarena; Baker, Tessa; Ferreira, Pedro G.

We present a method for parametrizing linear cosmological perturbations of theories of gravity, around homogeneous and isotropic backgrounds. The method is sufficiently general and systematic that it can be applied to theories with any degrees of freedom (DoFs) and arbitrary gauge symmetries. In this paper, we focus on scalar-tensor and vector-tensor theories, invariant under linear coordinate transformations. In the case of scalar-tensor theories, we use our framework to recover the simple parametrizations of linearized Horndeski and ''Beyond Horndeski'' theories, and also find higher-derivative corrections. In the case of vector-tensor theories, we first construct the most general quadratic action for perturbationsmore » that leads to second-order equations of motion, which propagates two scalar DoFs. Then we specialize to the case in which the vector field is time-like (à la Einstein-Aether gravity), where the theory only propagates one scalar DoF. As a result, we identify the complete forms of the quadratic actions for perturbations, and the number of free parameters that need to be defined, to cosmologically characterize these two broad classes of theories.« less

Quasiparticle self-consistent GW method for the spectral properties of complex materials.

PubMed

Bruneval, Fabien; Gatti, Matteo

2014-01-01

The GW approximation to the formally exact many-body perturbation theory has been applied successfully to materials for several decades. Since the practical calculations are extremely cumbersome, the GW self-energy is most commonly evaluated using a first-order perturbative approach: This is the so-called G 0 W 0 scheme. However, the G 0 W 0 approximation depends heavily on the mean-field theory that is employed as a basis for the perturbation theory. Recently, a procedure to reach a kind of self-consistency within the GW framework has been proposed. The quasiparticle self-consistent GW (QSGW) approximation retains some positive aspects of a self-consistent approach, but circumvents the intricacies of the complete GW theory, which is inconveniently based on a non-Hermitian and dynamical self-energy. This new scheme allows one to surmount most of the flaws of the usual G 0 W 0 at a moderate calculation cost and at a reasonable implementation burden. In particular, the issues of small band gap semiconductors, of large band gap insulators, and of some transition metal oxides are then cured. The QSGW method broadens the range of materials for which the spectral properties can be predicted with confidence.

Effect Of Molecular Rotations On High Intensity Absorption In CO2

NASA Astrophysics Data System (ADS)

Bandrauk, Andre D.; Claveau, Lorraine

1986-10-01

In intense fields, the Rabi frequency ωR = pE/h can easily be of the order of rotational and vibrational energies of molecules. This means that rotations as well as vibrations become strongly perturbed so that perturbative methods no longer apply. We will show that nonperturbative methods can be derived from the concept of the dressed molecule. This leads to coupled equations which are used ko simulate numerically the multiphoton processes which will occur at intensities > 108 W/cm2. Furthermore, for multiphoton rotational tran-sitions, one can derive analytical models which help one understand the temporal behaviour of energy flow in a molecule in terms of its dressed spectrum, such as chaotic or regular (nonchaotic) behaviour. These results are of relevance to the manifestation of multiphoton coherences in a CO2 spectrum at very high intensities (I % 1012 W/cm2).

Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam; Dehestani, Maryam

2018-06-01

We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation.

PubMed

Dixit, Anant; Claudot, Julien; Lebègue, Sébastien; Rocca, Dario

2017-06-07

By using a formulation based on the dynamical polarizability, we propose a novel implementation of second-order Møller-Plesset perturbation (MP2) theory within a plane wave (PW) basis set. Because of the intrinsic properties of PWs, this method is not affected by basis set superposition errors. Additionally, results are converged without relying on complete basis set extrapolation techniques; this is achieved by using the eigenvectors of the static polarizability as an auxiliary basis set to compactly and accurately represent the response functions involved in the MP2 equations. Summations over the large number of virtual states are avoided by using a formalism inspired by density functional perturbation theory, and the Lanczos algorithm is used to include dynamical effects. To demonstrate this method, applications to three weakly interacting dimers are presented.

Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Rice, Julia E.

1992-01-01

The equilibrium structures, harmonic vibrational frequencies, IR intensities, and relative energetics of HNO3 and its protonated form H2NO3+ were investigated using double-zeta plus polarization and triple-zeta plus polarization basis sets in conjunction with high-level ab initio methods. The latter include second-order Moller-Plesset perturbation theory, the single and double excitation coupled cluster (CCSD) methods, a perturbational estimate of the effects of connected triple excitations (CCSD(T)), and the self-consistent field. To determine accurate energy differences CCSD(T) energies were computed using large atomic natural orbital basis sets. Four different isomers of H2NO3+ were considered. The lowest energy form of protonated nitric acid was found to correspond to a complex between H2O and NO2+, which is consistent with earlier theoretical and experimental studies.

Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam; Dehestani, Maryam

2018-03-01

We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

Identification of natural frequencies and modal damping ratios of aerospace structures from response data

NASA Technical Reports Server (NTRS)

Michalopoulos, C. D.

1976-01-01

An analysis of one and multidegree of freedom systems with classical damping is presented. Definition and minimization of error functions for each system are discussed. Systems with classical and nonclassical normal modes are studied, and results for first order perturbation are given. An alternative method of matching power spectral densities is provided, and numerical results are reviewed.

An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hannon, Kevin P.; Li, Chenyang; Evangelista, Francesco A., E-mail: francesco.evangelista@emory.edu

2016-05-28

We report an efficient implementation of a second-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT2) [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)]. Our implementation employs factorized two-electron integrals to avoid storage of large four-index intermediates. It also exploits the block structure of the reference density matrices to reduce the computational cost to that of second-order Møller–Plesset perturbation theory. Our new DSRG-MRPT2 implementation is benchmarked on ten naphthyne isomers using basis sets up to quintuple-ζ quality. We find that the singlet-triplet splittings (Δ{sub ST}) of the naphthyne isomers strongly depend onmore » the equilibrium structures. For a consistent set of geometries, the Δ{sub ST} values predicted by the DSRG-MRPT2 are in good agreements with those computed by the reduced multireference coupled cluster theory with singles, doubles, and perturbative triples.« less

The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bykov, Dmytro; Kristensen, Kasper; Kjærgaard, Thomas

We report an implementation of the molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory (DEC-RI-MP2). The new DEC-RI-MP2 gradient method combines the precision control as well as the linear-scaling and massively parallel features of the DEC scheme with efficient evaluations of the gradient contributions using the RI approximation. We further demonstrate that the DEC-RI-MP2 gradient method is capable of calculating molecular gradients for very large molecular systems. A test set of supramolecular complexes containing up to 158 atoms and 1960 contracted basis functions has been employed to demonstrate the general applicability of the DEC-RI-MP2 methodmore » and to analyze the errors of the DEC approximation. Moreover, the test set contains molecules of complicated electronic structures and is thus deliberately chosen to stress test the DEC-RI-MP2 gradient implementation. Additionally, as a showcase example the full molecular gradient for insulin (787 atoms and 7604 contracted basis functions) has been evaluated.« less

Multiconfiguration Pair-Density Functional Theory and Complete Active Space Second Order Perturbation Theory. Bond Dissociation Energies of FeC, NiC, FeS, NiS, FeSe, and NiSe.

PubMed

Sharkas, Kamal; Gagliardi, Laura; Truhlar, Donald G

2017-12-07

We investigate the performance of multiconfiguration pair-density functional theory (MC-PDFT) and complete active space second-order perturbation theory for computing the bond dissociation energies of the diatomic molecules FeC, NiC, FeS, NiS, FeSe, and NiSe, for which accurate experimental data have become recently available [Matthew, D. J.; Tieu, E.; Morse, M. D. J. Chem. Phys. 2017, 146, 144310-144320]. We use three correlated participating orbital (CPO) schemes (nominal, moderate, and extended) to define the active spaces, and we consider both the complete active space (CAS) and the separated-pair (SP) schemes to specify the configurations included for a given active space. We found that the moderate SP-PDFT scheme with the tPBE on-top density functional has the smallest mean unsigned error (MUE) of the methods considered. This level of theory provides a balanced treatment of the static and dynamic correlation energies for the studied systems. This is encouraging because the method is low in cost even for much more complicated systems.

Development and Application of Optical Coherence Elastography for Detection of Mechanical Property Changes Occurring in Early Osteoarthritis

NASA Astrophysics Data System (ADS)

Hirota, Koji

We demonstrate a computationally-efficient method for optical coherence elastography (OCE) based on fringe washout method for a spectral-domain OCT (SD-OCT) system. By sending short pulses of mechanical perturbation with ultrasound or shock wave during the image acquisition of alternating depth profiles, we can extract cross-sectional mechanical assessment of tissue in real-time. This was achieved through a simple comparison of the intensity in adjacent depth profiles acquired during the states of perturbation and non-perturbation in order to quantify the degree of induced fringe washout. Although the results indicate that our OCE technique based on the fringe washout effect is sensitive enough to detect mechanical property changes in biological samples, there is some loss of sensitivity in comparison to previous techniques in order to achieve computationally efficiency and minimum modification in both hardware and software in the OCT system. The tissue phantom study was carried with various agar density samples to characterize our OCE technique. Young's modulus measurements were achieved with the atomic force microscopy (AFM) to correlate to our OCE assessment. Knee cartilage samples of monosodium iodoacetate (MIA) rat models were utilized to replicate cartilage damage of a human model. Our proposed OCE technique along with intensity and AFM measurements were applied to the MIA models to assess the damage. The results from both the phantom study and MIA model study demonstrated the strong capability to assess the changes in mechanical properties of the OCE technique. The correlation between the OCE measurements and the Young's modulus values demonstrated in the OCE data that the stiffer material had less magnitude of fringe washout effect. This result is attributed to the fringe washout effect caused by axial motion that the displacement of the scatterers in the stiffer samples in response to the external perturbation induces less fringe washout effect.

Earth's gravity gradient and eddy currents effects on the rotational dynamics of space debris objects: Envisat case study

NASA Astrophysics Data System (ADS)

Gómez, Natalia Ortiz; Walker, Scott J. I.

2015-08-01

The space debris population has grown rapidly over the last few decades with the consequent growth of impact risk between current objects in orbit. Active Debris Removal (ADR) has been recommended to be put into practice by several National Agencies in order to remove objects that pose the biggest risk for the space community. The most immediate target that is being considered for ADR by the European Space Agency is the Earth-observing satellite Envisat. In order to safely remove such a massive object from its orbit, a capturing process followed by a controlled reentry is necessary. However, current ADR methods that require physical contact with the target have limitations on the maximum angular momentum that can be absorbed and a de-tumbling phase prior to the capturing process may be required. Therefore, it is of utmost importance for the ADR mission design to be able to predict accurately how the target will be rotating at the time of capture. This article analyses two perturbations that affect an object in Low Earth Orbit (LEO), the Earth's gravity gradient and the eddy currents induced by the Earth's magnetic field. The gravity gradient is analysed using the equation of conservation of total energy and a graphical method is presented to understand the expected behaviour of any object under the effect of this perturbation. The eddy currents are also analysed by studying the total energy of the system. The induced torque and the characteristic time of decay are presented as a function of the object's magnetic tensor. In addition, simulations were carried out for the Envisat spacecraft including the gravity gradient perturbation as well as the eddy currents effect using the International Geomagnetic Reference Field IGRF-11 to model the Earth's magnetic field. These simulations show that the combined effect of these two perturbations is a plausible explanation for the rotational speed decay observed between April 2013 and September 2013.

Diagrammar in classical scalar field theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cattaruzza, E., E-mail: Enrico.Cattaruzza@gmail.com; Gozzi, E., E-mail: gozzi@ts.infn.it; INFN, Sezione di Trieste

2011-09-15

In this paper we analyze perturbatively a g{phi}{sup 4}classical field theory with and without temperature. In order to do that, we make use of a path-integral approach developed some time ago for classical theories. It turns out that the diagrams appearing at the classical level are many more than at the quantum level due to the presence of extra auxiliary fields in the classical formalism. We shall show that a universal supersymmetry present in the classical path-integral mentioned above is responsible for the cancelation of various diagrams. The same supersymmetry allows the introduction of super-fields and super-diagrams which considerably simplifymore » the calculations and make the classical perturbative calculations almost 'identical' formally to the quantum ones. Using the super-diagrams technique, we develop the classical perturbation theory up to third order. We conclude the paper with a perturbative check of the fluctuation-dissipation theorem. - Highlights: > We provide the Feynman diagrams of perturbation theory for a classical field theory. > We give a super-formalism which links the quantum diagrams to the classical ones. > We check perturbatively the fluctuation-dissipation theorem.« less

Tackling non-linearities with the effective field theory of dark energy and modified gravity

NASA Astrophysics Data System (ADS)

Frusciante, Noemi; Papadomanolakis, Georgios

2017-12-01

We present the extension of the effective field theory framework to the mildly non-linear scales. The effective field theory approach has been successfully applied to the late time cosmic acceleration phenomenon and it has been shown to be a powerful method to obtain predictions about cosmological observables on linear scales. However, mildly non-linear scales need to be consistently considered when testing gravity theories because a large part of the data comes from those scales. Thus, non-linear corrections to predictions on observables coming from the linear analysis can help in discriminating among different gravity theories. We proceed firstly by identifying the necessary operators which need to be included in the effective field theory Lagrangian in order to go beyond the linear order in perturbations and then we construct the corresponding non-linear action. Moreover, we present the complete recipe to map any single field dark energy and modified gravity models into the non-linear effective field theory framework by considering a general action in the Arnowitt-Deser-Misner formalism. In order to illustrate this recipe we proceed to map the beyond-Horndeski theory and low-energy Hořava gravity into the effective field theory formalism. As a final step we derived the 4th order action in term of the curvature perturbation. This allowed us to identify the non-linear contributions coming from the linear order perturbations which at the next order act like source terms. Moreover, we confirm that the stability requirements, ensuring the positivity of the kinetic term and the speed of propagation for scalar mode, are automatically satisfied once the viability of the theory is demanded at linear level. The approach we present here will allow to construct, in a model independent way, all the relevant predictions on observables at mildly non-linear scales.

Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakajima, Yuya; Seino, Junji; Nakai, Hiromi, E-mail: nakai@waseda.jp

In this study, the analytical energy gradient for the spin-free infinite-order Douglas-Kroll-Hess (IODKH) method at the levels of the Hartree-Fock (HF), density functional theory (DFT), and second-order Møller-Plesset perturbation theory (MP2) is developed. Furthermore, adopting the local unitary transformation (LUT) scheme for the IODKH method improves the efficiency in computation of the analytical energy gradient. Numerical assessments of the present gradient method are performed at the HF, DFT, and MP2 levels for the IODKH with and without the LUT scheme. The accuracies are examined for diatomic molecules such as hydrogen halides, halogen dimers, coinage metal (Cu, Ag, and Au) halides,more » and coinage metal dimers, and 20 metal complexes, including the fourth–sixth row transition metals. In addition, the efficiencies are investigated for one-, two-, and three-dimensional silver clusters. The numerical results confirm the accuracy and efficiency of the present method.« less

Many-body-theory study of lithium photoionization

NASA Technical Reports Server (NTRS)

Chang, T. N.; Poe, R. T.

1975-01-01

A detailed theoretical calculation is carried out for the photoionization of lithium at low energies within the framework of Brueckner-Goldstone perturbational approach. In this calculation extensive use is made of the recently developed multiple-basis-set technique. Through this technique all second-order perturbation terms, plus a number of important classes of terms to infinite order, have been taken into account. Analysis of the results enables one to resolve the discrepancies between two previous works on this subject. The detailed calculation also serves as a test on the convergence of the many-body perturbation-expansion approach.

Nonlinear ideal magnetohydrodynamics instabilities

NASA Astrophysics Data System (ADS)

Pfirsch, D.; Sudan, R. N.

1993-07-01

Explosive phenomena such as internal disruptions in toroidal discharges and solar flares are difficult to explain in terms of linear instabilities. A plasma approaching a linear stability limit can, however, become nonlinearly and explosively unstable, with noninfinitesimal perturbations even before the marginal state is reached. For such investigations, a nonlinear extension of the usual MHD (magnetohydrodynamic) energy principle is helpful. (This was obtained by Merkel and Schlüter, Sitzungsberichted. Bayer. Akad. Wiss., Munich, 1976, No. 7, for Cartesian coordinate systems.) A coordinate system independent Eulerian formulation for the Lagrangian allowing for equilibria with flow and with built-in conservation laws for mass, magnetic flux, and entropy is developed in this paper which is similar to Newcomb's Lagrangian method of 1962 [Nucl. Fusion, Suppl., Pt. II, 452 (1962)]. For static equilibria nonlinear stability is completely determined by the potential energy. For a potential energy which contains second- and nth order or some more general contributions only, it is shown in full generality that linearly unstable and marginally stable systems are explosively unstable even for infinitesimal perturbations; linearly absolutely stable systems require finite initial perturbations. For equilibria with Abelian symmetries symmetry breaking initial perturbations are needed, which should be observed in numerical simulations. Nonlinear stability is proved for two simple examples, m=0 perturbations of a Bennet Z-pinch and z-independent perturbations of a θ pinch. The algebra for treating these cases reduces considerably if symmetries are taken into account from the outset, as suggested by M. N. Rosenbluth (private communication, 1992).

Comparing Vibrationally Averaged Nuclear Shielding Constants by Quantum Diffusion Monte Carlo and Second-Order Perturbation Theory.

PubMed

Ng, Yee-Hong; Bettens, Ryan P A

2016-03-03

Using the method of modified Shepard's interpolation to construct potential energy surfaces of the H2O, O3, and HCOOH molecules, we compute vibrationally averaged isotropic nuclear shielding constants ⟨σ⟩ of the three molecules via quantum diffusion Monte Carlo (QDMC). The QDMC results are compared to that of second-order perturbation theory (PT), to see if second-order PT is adequate for obtaining accurate values of nuclear shielding constants of molecules with large amplitude motions. ⟨σ⟩ computed by the two approaches differ for the hydrogens and carbonyl oxygen of HCOOH, suggesting that for certain molecules such as HCOOH where big displacements away from equilibrium happen (internal OH rotation), ⟨σ⟩ of experimental quality may only be obtainable with the use of more sophisticated and accurate methods, such as quantum diffusion Monte Carlo. The approach of modified Shepard's interpolation is also extended to construct shielding constants σ surfaces of the three molecules. By using a σ surface with the equilibrium geometry as a single data point to compute isotropic nuclear shielding constants for each descendant in the QDMC ensemble representing the ground state wave function, we reproduce the results obtained through ab initio computed σ to within statistical noise. Development of such an approach could thereby alleviate the need for any future costly ab initio σ calculations.

First-order analytic propagation of satellites in the exponential atmosphere of an oblate planet

NASA Astrophysics Data System (ADS)

Martinusi, Vladimir; Dell'Elce, Lamberto; Kerschen, Gaëtan

2017-04-01

The paper offers the fully analytic solution to the motion of a satellite orbiting under the influence of the two major perturbations, due to the oblateness and the atmospheric drag. The solution is presented in a time-explicit form, and takes into account an exponential distribution of the atmospheric density, an assumption that is reasonably close to reality. The approach involves two essential steps. The first one concerns a new approximate mathematical model that admits a closed-form solution with respect to a set of new variables. The second step is the determination of an infinitesimal contact transformation that allows to navigate between the new and the original variables. This contact transformation is obtained in exact form, and afterwards a Taylor series approximation is proposed in order to make all the computations explicit. The aforementioned transformation accommodates both perturbations, improving the accuracy of the orbit predictions by one order of magnitude with respect to the case when the atmospheric drag is absent from the transformation. Numerical simulations are performed for a low Earth orbit starting at an altitude of 350 km, and they show that the incorporation of drag terms into the contact transformation generates an error reduction by a factor of 7 in the position vector. The proposed method aims at improving the accuracy of analytic orbit propagation and transforming it into a viable alternative to the computationally intensive numerical methods.

Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

NASA Astrophysics Data System (ADS)

Hohenstein, Edward G.; Parrish, Robert M.; Martínez, Todd J.

2012-07-01

Many approximations have been developed to help deal with the O(N4) growth of the electron repulsion integral (ERI) tensor, where N is the number of one-electron basis functions used to represent the electronic wavefunction. Of these, the density fitting (DF) approximation is currently the most widely used despite the fact that it is often incapable of altering the underlying scaling of computational effort with respect to molecular size. We present a method for exploiting sparsity in three-center overlap integrals through tensor decomposition to obtain a low-rank approximation to density fitting (tensor hypercontraction density fitting or THC-DF). This new approximation reduces the 4th-order ERI tensor to a product of five matrices, simultaneously reducing the storage requirement as well as increasing the flexibility to regroup terms and reduce scaling behavior. As an example, we demonstrate such a scaling reduction for second- and third-order perturbation theory (MP2 and MP3), showing that both can be carried out in O(N4) operations. This should be compared to the usual scaling behavior of O(N5) and O(N6) for MP2 and MP3, respectively. The THC-DF technique can also be applied to other methods in electronic structure theory, such as coupled-cluster and configuration interaction, promising significant gains in computational efficiency and storage reduction.

Uncertainty Quantification of Water Quality in Tamsui River in Taiwan

NASA Astrophysics Data System (ADS)

Kao, D.; Tsai, C.

2017-12-01

In Taiwan, modeling of non-point source pollution is unavoidably associated with uncertainty. The main purpose of this research is to better understand water contamination in the metropolitan Taipei area, and also to provide a new analysis method for government or companies to establish related control and design measures. In this research, three methods are utilized to carry out the uncertainty analysis step by step with Mike 21, which is widely used for hydro-dynamics and water quality modeling, and the study area is focused on Tamsui river watershed. First, a sensitivity analysis is conducted which can be used to rank the order of influential parameters and variables such as Dissolved Oxygen, Nitrate, Ammonia and Phosphorous. Then we use the First-order error method (FOEA) to determine the number of parameters that could significantly affect the variability of simulation results. Finally, a state-of-the-art method for uncertainty analysis called the Perturbance moment method (PMM) is applied in this research, which is more efficient than the Monte-Carlo simulation (MCS). For MCS, the calculations may become cumbersome when involving multiple uncertain parameters and variables. For PMM, three representative points are used for each random variable, and the statistical moments (e.g., mean value, standard deviation) for the output can be presented by the representative points and perturbance moments based on the parallel axis theorem. With the assumption of the independent parameters and variables, calculation time is significantly reduced for PMM as opposed to MCS for a comparable modeling accuracy.

Solution of the Time-Dependent Schrödinger Equation by the Laplace Transform Method

PubMed Central

Lin, S. H.; Eyring, H.

1971-01-01

The time-dependent Schrödinger equation for two quite general types of perturbation has been solved by introducing the Laplace transforms to eliminate the time variable. The resulting time-independent differential equation can then be solved by the perturbation method, the variation method, the variation-perturbation method, and other methods. PMID:16591898

Integration of the Rotation of an Earth-like Body as a Perturbed Spherical Rotor

NASA Astrophysics Data System (ADS)

Ferrer, Sebastián; Lara, Martin

2010-05-01

For rigid bodies close to a sphere, we propose an analytical solution that is free from elliptic integrals and functions, and can be fundamental for application to perturbed problems. After reordering the Hamiltonian as a perturbed spherical rotor, the Lie-series solution is generated up to an arbitrary order. Using the inertia parameters of different solar system bodies, the comparison of the approximate series solution with the exact analytical one shows that the precision reached with relatively low orders is at the same level of the observational accuracy for the Earth and Mars. Thus, for instance, the periodic errors of the mathematical solution are confined to the microarcsecond level with a simple second-order truncation for the Earth. On the contrary, higher orders are required for the mathematical solution to reach a precision at the expected level of accuracy of proposed new theories for the rotational dynamics of the Moon.

Nonlinear gyrokinetics: a powerful tool for the description of microturbulence in magnetized plasmas

NASA Astrophysics Data System (ADS)

Krommes, John A.

2010-12-01

Gyrokinetics is the description of low-frequency dynamics in magnetized plasmas. In magnetic-confinement fusion, it provides the most fundamental basis for numerical simulations of microturbulence; there are astrophysical applications as well. In this tutorial, a sketch of the derivation of the novel dynamical system comprising the nonlinear gyrokinetic (GK) equation (GKE) and the coupled electrostatic GK Poisson equation will be given by using modern Lagrangian and Lie perturbation methods. No background in plasma physics is required in order to appreciate the logical development. The GKE describes the evolution of an ensemble of gyrocenters moving in a weakly inhomogeneous background magnetic field and in the presence of electromagnetic perturbations with wavelength of the order of the ion gyroradius. Gyrocenters move with effective drifts, which may be obtained by an averaging procedure that systematically, order by order, removes gyrophase dependence. To that end, the use of the Lagrangian differential one-form as well as the content and advantages of Lie perturbation theory will be explained. The electromagnetic fields follow via Maxwell's equations from the charge and current density of the particles. Particle and gyrocenter densities differ by an important polarization effect. That is calculated formally by a 'pull-back' (a concept from differential geometry) of the gyrocenter distribution to the laboratory coordinate system. A natural truncation then leads to the closed GK dynamical system. Important properties such as GK energy conservation and fluctuation noise will be mentioned briefly, as will the possibility (and difficulties) of deriving nonlinear gyrofluid equations suitable for rapid numerical solution—although it is probably best to directly simulate the GKE. By the end of the tutorial, students should appreciate the GKE as an extremely powerful tool and will be prepared for later lectures describing its applications to physical problems.

Adaptive Modeling Procedure Selection by Data Perturbation.

PubMed

Zhang, Yongli; Shen, Xiaotong

2015-10-01

Many procedures have been developed to deal with the high-dimensional problem that is emerging in various business and economics areas. To evaluate and compare these procedures, modeling uncertainty caused by model selection and parameter estimation has to be assessed and integrated into a modeling process. To do this, a data perturbation method estimates the modeling uncertainty inherited in a selection process by perturbing the data. Critical to data perturbation is the size of perturbation, as the perturbed data should resemble the original dataset. To account for the modeling uncertainty, we derive the optimal size of perturbation, which adapts to the data, the model space, and other relevant factors in the context of linear regression. On this basis, we develop an adaptive data-perturbation method that, unlike its nonadaptive counterpart, performs well in different situations. This leads to a data-adaptive model selection method. Both theoretical and numerical analysis suggest that the data-adaptive model selection method adapts to distinct situations in that it yields consistent model selection and optimal prediction, without knowing which situation exists a priori. The proposed method is applied to real data from the commodity market and outperforms its competitors in terms of price forecasting accuracy.

Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

PubMed

Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

2016-10-01

Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

Exploratory Lattice QCD Study of the Rare Kaon Decay K^{+}→π^{+}νν[over ¯].

PubMed

Bai, Ziyuan; Christ, Norman H; Feng, Xu; Lawson, Andrew; Portelli, Antonin; Sachrajda, Christopher T

2017-06-23

We report a first, complete lattice QCD calculation of the long-distance contribution to the K^{+}→π^{+}νν[over ¯] decay within the standard model. This is a second-order weak process involving two four-Fermi operators that is highly sensitive to new physics and being studied by the NA62 experiment at CERN. While much of this decay comes from perturbative, short-distance physics, there is a long-distance part, perhaps as large as the planned experimental error, which involves nonperturbative phenomena. The calculation presented here, with unphysical quark masses, demonstrates that this contribution can be computed using lattice methods by overcoming three technical difficulties: (i) a short-distance divergence that results when the two weak operators approach each other, (ii) exponentially growing, unphysical terms that appear in Euclidean, second-order perturbation theory, and (iii) potentially large finite-volume effects. A follow-on calculation with physical quark masses and controlled systematic errors will be possible with the next generation of computers.

Singlet vs Nonsinglet Perturbative Renormalization factors of Staggered Fermion Bilinears

NASA Astrophysics Data System (ADS)

Panagopoulos, Haralambos; Spanoudes, Gregoris

2018-03-01

In this paper we present the perturbative computation of the difference between the renormalization factors of flavor singlet (Σfψ¯fΓψf', f : flavor index) and nonsinglet (ψ¯f1Γψf2,f1 ≠ f2) bilinear quark operators (where Γ = 𝟙, γ5, γ µ, γ5 γ µ, γ5 σµv on the lattice. The computation is performed to two loops and to lowest order in the lattice spacing, using Symanzik improved gluons and staggered fermions with twice stout-smeared links. The stout smearing procedure is also applied to the definition of bilinear operators. A significant part of this work is the development of a method for treating some new peculiar divergent integrals stemming from the staggered formalism. Our results can be combined with precise simulation results for the renormalization factors of the nonsinglet operators, in order to obtain an estimate of the renormalization factors for the singlet operators. The results have been published in Physical Review D [1].

Exploratory Lattice QCD Study of the Rare Kaon Decay K+→π+ν ν ¯

NASA Astrophysics Data System (ADS)

Bai, Ziyuan; Christ, Norman H.; Feng, Xu; Lawson, Andrew; Portelli, Antonin; Sachrajda, Christopher T.; Rbc-Ukqcd Collaboration

2017-06-01

We report a first, complete lattice QCD calculation of the long-distance contribution to the K+→π+ν ν ¯ decay within the standard model. This is a second-order weak process involving two four-Fermi operators that is highly sensitive to new physics and being studied by the NA62 experiment at CERN. While much of this decay comes from perturbative, short-distance physics, there is a long-distance part, perhaps as large as the planned experimental error, which involves nonperturbative phenomena. The calculation presented here, with unphysical quark masses, demonstrates that this contribution can be computed using lattice methods by overcoming three technical difficulties: (i) a short-distance divergence that results when the two weak operators approach each other, (ii) exponentially growing, unphysical terms that appear in Euclidean, second-order perturbation theory, and (iii) potentially large finite-volume effects. A follow-on calculation with physical quark masses and controlled systematic errors will be possible with the next generation of computers.

Hill Problem Analytical Theory to the Order Four. Application to the Computation of Frozen Orbits around Planetary Satellites

NASA Technical Reports Server (NTRS)

Lara, Martin; Palacian, Jesus F.

2007-01-01

Frozen orbits of the Hill problem are determined in the double averaged problem, where short and long period terms are removed by means of Lie transforms. The computation of initial conditions of corresponding quasi periodic solutions in the non-averaged problem is straightforward for the perturbation method used provides the explicit equations of the transformation that connects the averaged and non-averaged models. A fourth order analytical theory reveals necessary for the accurate computation of quasi periodic, frozen orbits.

Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Azar, Richard Julian, E-mail: julianazar2323@berkeley.edu; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu

2015-05-28

Your correspondents develop and apply fully nonorthogonal, local-reference perturbation theories describing non-covalent interactions. Our formulations are based on a Löwdin partitioning of the similarity-transformed Hamiltonian into a zeroth-order intramonomer piece (taking local CCSD solutions as its zeroth-order eigenfunction) plus a first-order piece coupling the fragments. If considerations are limited to a single molecule, the proposed intermolecular similarity-transformed perturbation theory represents a frozen-orbital variant of the “(2)”-type theories shown to be competitive with CCSD(T) and of similar cost if all terms are retained. Different restrictions on the zeroth- and first-order amplitudes are explored in the context of large-computation tractability and elucidationmore » of non-local effects in the space of singles and doubles. To accurately approximate CCSD intermolecular interaction energies, a quadratically growing number of variables must be included at zeroth-order.« less

Capillary instability of elliptic liquid jets

NASA Astrophysics Data System (ADS)

Amini, Ghobad; Dolatabadi, Ali

2011-08-01

Instability of a liquid jet issuing from an elliptic nozzle in Rayleigh mode is investigated and its behavior is compared with a circular jet. Mathematical solution of viscous free-surface flow for asymmetric geometry is complicated if 3-D analytical solutions are to be obtained. Hence, one-dimensional Cosserat (directed curve) equations are used which can be assumed as a low order form of Navier-Stokes equations for slender jets. Linear solution is performed using perturbation method. Temporal dispersion equation is derived to find the most unstable wavelength responsible for the jet breakup. The obtained results for a circular jet (i.e., an ellipse with an aspect ratio of one) are compared with the classical results of Rayleigh and Weber for inviscid and viscous cases, respectively. It is shown that in the Rayleigh regime, which is the subject of this research, symmetric perturbations are unstable while asymmetric perturbations are stable. Consequently, spatial analysis is performed and the variation of growth rate under the effect of perturbation frequencies for various jet velocities is demonstrated. Results reveal that in comparison with a circular jet, the elliptic jet is more unstable. Furthermore, among liquid jets with elliptical cross sections, those with larger ellipticities have a larger instability growth rate.

Unconditionally stable finite-difference time-domain methods for modeling the Sagnac effect

NASA Astrophysics Data System (ADS)

Novitski, Roman; Scheuer, Jacob; Steinberg, Ben Z.

2013-02-01

We present two unconditionally stable finite-difference time-domain (FDTD) methods for modeling the Sagnac effect in rotating optical microsensors. The methods are based on the implicit Crank-Nicolson scheme, adapted to hold in the rotating system reference frame—the rotating Crank-Nicolson (RCN) methods. The first method (RCN-2) is second order accurate in space whereas the second method (RCN-4) is fourth order accurate. Both methods are second order accurate in time. We show that the RCN-4 scheme is more accurate and has better dispersion isotropy. The numerical results show good correspondence with the expression for the classical Sagnac resonant frequency splitting when using group refractive indices of the resonant modes of a microresonator. Also we show that the numerical results are consistent with the perturbation theory for the rotating degenerate microcavities. We apply our method to simulate the effect of rotation on an entire Coupled Resonator Optical Waveguide (CROW) consisting of a set of coupled microresonators. Preliminary results validate the formation of a rotation-induced gap at the center of a transfer function of a CROW.

Threshold resummation of soft gluons in hadronic reactions - an introduction.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berger, E. L.

The authors discuss the motivation for resummation of the effects of initial-state soft gluon radiation, to all orders in the strong coupling strength, for processes in which the near-threshold region in the partonic subenergy is important. The author summarizes the method of perturbative resummation and its application to the calculation of the total cross section for top quark production at hadron colliders. Comments are included on the differences between the treatment of subleading logarithmic terms in this method and in other approaches.

First order perturbations of the Einstein-Straus and Oppenheimer-Snyder models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mars, Marc; Mena, Filipe C.; Vera, Rauel

We derive the linearly perturbed matching conditions between a Schwarzschild spacetime region with stationary and axially symmetric perturbations and a Friedmann-Lemaitre-Robertson-Walker (FLRW) spacetime with arbitrary perturbations. The matching hypersurface is also perturbed arbitrarily and, in all cases, the perturbations are decomposed into scalars using the Hodge operator on the sphere. This allows us to write down the matching conditions in a compact way. In particular, we find that the existence of a perturbed (rotating, stationary, and vacuum) Schwarzschild cavity in a perturbed FLRW universe forces the cosmological perturbations to satisfy constraints that link rotational and gravitational wave perturbations. We alsomore » prove that if the perturbation on the FLRW side vanishes identically, then the vacuole must be perturbatively static and hence Schwarzschild. By the dual nature of the problem, the first result translates into links between rotational and gravitational wave perturbations on a perturbed Oppenheimer-Snyder model, where the perturbed FLRW dust collapses in a perturbed Schwarzschild environment which rotates in equilibrium. The second result implies, in particular, that no region described by FLRW can be a source of the Kerr metric.« less

Perturbative unitarity constraints on the NMSSM Higgs Sector

DOE PAGES

Betre, Kassahun; El Hedri, Sonia; Walker, Devin G. E.

2017-11-11

We place perturbative unitarity constraints on both the dimensionful and dimensionless parameters in the Next-to-Minimal Supersymmetric Standard Model (NMSSM) Higgs Sector. These constraints, plus the requirement that the singlino and/or Higgsino constitutes at least part of the observed dark matter relic abundance, generate upper bounds on the Higgs, neutralino and chargino mass spectrum. Requiring higher-order corrections to be no more than 41% of the tree-level value, we obtain an upper bound of 20 TeV for the heavy Higgses and 12 TeV for the charginos and neutralinos outside defined fine-tuned regions. If the corrections are no more than 20% of themore » tree-level value, the bounds are 7 TeV for the heavy Higgses and 5 TeV for the charginos and neutralinos. Finally, in all, by using the NMSSM as a template, we describe a method which replaces naturalness arguments with more rigorous perturbative unitarity arguments to get a better understanding of when new physics will appear.« less

Chiral perturbation theory and nucleon-pion-state contaminations in lattice QCD

NASA Astrophysics Data System (ADS)

Bär, Oliver

2017-05-01

Multiparticle states with additional pions are expected to be a non-negligible source of excited-state contamination in lattice simulations at the physical point. It is shown that baryon chiral perturbation theory can be employed to calculate the contamination due to two-particle nucleon-pion-states in various nucleon observables. Leading order results are presented for the nucleon axial, tensor and scalar charge and three Mellin moments of parton distribution functions (quark momentum fraction, helicity and transversity moment). Taking into account phenomenological results for the charges and moments the impact of the nucleon-pion-states on lattice estimates for these observables can be estimated. The nucleon-pion-state contribution results in an overestimation of all charges and moments obtained with the plateau method. The overestimation is at the 5-10% level for source-sink separations of about 2 fm. The source-sink separations accessible in contemporary lattice simulations are found to be too small for chiral perturbation theory to be directly applicable.

Tidal Love Numbers of Neutron Stars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hinderer, Tanja

For a variety of fully relativistic polytropic neutron star models we calculate the star's tidal Love number k{sub 2}. Most realistic equations of state for neutron stars can be approximated as a polytrope with an effective index n {approx} 0.5-1.0. The equilibrium stellar model is obtained by numerical integration of the Tolman-Oppenheimer-Volkhov equations. We calculate the linear l = 2 static perturbations to the Schwarzschild spacetime following the method of Thorne and Campolattaro. Combining the perturbed Einstein equations into a single second-order differential equation for the perturbation to the metric coefficient g{sub tt} and matching the exterior solution to themore » asymptotic expansion of the metric in the star's local asymptotic rest frame gives the Love number. Our results agree well with the Newtonian results in the weak field limit. The fully relativistic values differ from the Newtonian values by up to {approx}24%. The Love number is potentially measurable in gravitational wave signals from inspiralling binary neutron stars.« less

Nonlinear Waves In A Stenosed Elastic Tube Filled With Viscous Fluid: Forced Perturbed Korteweg-De Vries Equation

NASA Astrophysics Data System (ADS)

Gaik*, Tay Kim; Demiray, Hilmi; Tiong, Ong Chee

In the present work, treating the artery as a prestressed thin-walled and long circularly cylindrical elastic tube with a mild symmetrical stenosis and the blood as an incompressible Newtonian fluid, we have studied the pro pagation of weakly nonlinear waves in such a composite medium, in the long wave approximation, by use of the reductive perturbation method. By intro ducing a set of stretched coordinates suitable for the boundary value type of problems and expanding the field variables into asymptotic series of the small-ness parameter of nonlinearity and dispersion, we obtained a set of nonlinear differential equations governing the terms at various order. By solving these nonlinear differential equations, we obtained the forced perturbed Korteweg-de Vries equation with variable coefficient as the nonlinear evolution equation. By use of the coordinate transformation, it is shown that this type of nonlinear evolution equation admits a progressive wave solution with variable wave speed.

Perturbative unitarity constraints on the NMSSM Higgs Sector

DOE Office of Scientific and Technical Information (OSTI.GOV)

Betre, Kassahun; El Hedri, Sonia; Walker, Devin G. E.

We place perturbative unitarity constraints on both the dimensionful and dimensionless parameters in the Next-to-Minimal Supersymmetric Standard Model (NMSSM) Higgs Sector. These constraints, plus the requirement that the singlino and/or Higgsino constitutes at least part of the observed dark matter relic abundance, generate upper bounds on the Higgs, neutralino and chargino mass spectrum. Requiring higher-order corrections to be no more than 41% of the tree-level value, we obtain an upper bound of 20 TeV for the heavy Higgses and 12 TeV for the charginos and neutralinos outside defined fine-tuned regions. If the corrections are no more than 20% of themore » tree-level value, the bounds are 7 TeV for the heavy Higgses and 5 TeV for the charginos and neutralinos. Finally, in all, by using the NMSSM as a template, we describe a method which replaces naturalness arguments with more rigorous perturbative unitarity arguments to get a better understanding of when new physics will appear.« less

Sculling Compensation Algorithm for SINS Based on Two-Time Scale Perturbation Model of Inertial Measurements

PubMed Central

Wang, Lingling; Fu, Li

2018-01-01

In order to decrease the velocity sculling error under vibration environments, a new sculling error compensation algorithm for strapdown inertial navigation system (SINS) using angular rate and specific force measurements as inputs is proposed in this paper. First, the sculling error formula in incremental velocity update is analytically derived in terms of the angular rate and specific force. Next, two-time scale perturbation models of the angular rate and specific force are constructed. The new sculling correction term is derived and a gravitational search optimization method is used to determine the parameters in the two-time scale perturbation models. Finally, the performance of the proposed algorithm is evaluated in a stochastic real sculling environment, which is different from the conventional algorithms simulated in a pure sculling circumstance. A series of test results demonstrate that the new sculling compensation algorithm can achieve balanced real/pseudo sculling correction performance during velocity update with the advantage of less computation load compared with conventional algorithms. PMID:29346323

Nonlinear zero-sum differential game analysis by singular perturbation methods

NASA Technical Reports Server (NTRS)

Sinar, J.; Farber, N.

1982-01-01

A class of nonlinear, zero-sum differential games, exhibiting time-scale separation properties, can be analyzed by singular-perturbation techniques. The merits of such an analysis, leading to an approximate game solution, as well as the 'well-posedness' of the formulation, are discussed. This approach is shown to be attractive for investigating pursuit-evasion problems; the original multidimensional differential game is decomposed to a 'simple pursuit' (free-stream) game and two independent (boundary-layer) optimal-control problems. Using multiple time-scale boundary-layer models results in a pair of uniformly valid zero-order composite feedback strategies. The dependence of suboptimal strategies on relative geometry and own-state measurements is demonstrated by a three dimensional, constant-speed example. For game analysis with realistic vehicle dynamics, the technique of forced singular perturbations and a variable modeling approach is proposed. Accuracy of the analysis is evaluated by comparison with the numerical solution of a time-optimal, variable-speed 'game of two cars' in the horizontal plane.

A comparison of Lorentz, planetary gravitational, and satellite gravitational resonances

NASA Technical Reports Server (NTRS)

Hamilton, Douglas P.

1994-01-01

We consider a charged dust grain whose orbital motion is dominated by a planet's point-source gravity, but perturbed by higher-order terms in the planet's gravity field as well as by the Lorentz force arising from an asymmetric planetary magnetic field. Perturbations to Keplerian orbits due to a nonspherical gravity field are expressed in the traditional way: in terms of a disturbing function which can be expanded in a series of spherical harmonics (W. M. Kaula, 1966). In order to calculate the electromagnetic perturbation, we first write the Lorentz force in terms of the orbital elements and then substitute it into Gauss' perturbation equations. We use our result to derive strengths of Lorentz resonances and elucidate their properties. In particular, we compare Lorentz resonances to two types of gravitational resonances: those arising from periodic tugs of a satellite and those due to the attraction of an arbitrarily shaped planet. We find that Lorentz resonances share numerous properties with their gravitational counterparts and show, using simple physical arguments, that several of these patterns are fundamental, applying not only to our expansions, but to all quantities expressed in terms of orbital elements. Some of these patterns have been previously called 'd'Alembert rules' for satellite resonances. Other similarities arise because, to first-order in the perturbing force, the three problems share an integral of the motion. Yet there are also differences; for example, first-order inclination resonances exist for perturbations arising from planetary gravity and from the Lorentz force, but not for those due to an orbiting satellite. Finally, we provide a heuristic treatment of a particle's orbital evolution under the influence of drag and resonant forces. Particles brought into mean-motion resonances experience either trapping or resonant 'jumps,' depending on the direction from which the resonance is approached. We show that this behavior does not depend on the details of the perturbing force but rather is fundamental to all mean-motion resonances.

Global adiabaticity and non-Gaussianity consistency condition

NASA Astrophysics Data System (ADS)

Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao

2016-10-01

In the context of single-field inflation, the conservation of the curvature perturbation on comoving slices, Rc, on super-horizon scales is one of the assumptions necessary to derive the consistency condition between the squeezed limit of the bispectrum and the spectrum of the primordial curvature perturbation. However, the conservation of Rc holds only after the perturbation has reached the adiabatic limit where the constant mode of Rc dominates over the other (usually decaying) mode. In this case, the non-adiabatic pressure perturbation defined in the thermodynamic sense, δPnad ≡ δP - cw2 δρ where cw2 = P ˙ / ρ ˙ , usually becomes also negligible on superhorizon scales. Therefore one might think that the adiabatic limit is the same as thermodynamic adiabaticity. This is in fact not true. In other words, thermodynamic adiabaticity is not a sufficient condition for the conservation of Rc on super-horizon scales. In this paper, we consider models that satisfy δPnad = 0 on all scales, which we call global adiabaticity (GA), which is guaranteed if cw2 = cs2, where cs is the phase velocity of the propagation of the perturbation. A known example is the case of ultra-slow-roll (USR) inflation in which cw2 = cs2 = 1. In order to generalize USR we develop a method to find the Lagrangian of GA K-inflation models from the behavior of background quantities as functions of the scale factor. Applying this method we show that there indeed exists a wide class of GA models with cw2 = cs2, which allows Rc to grow on superhorizon scales, and hence violates the non-Gaussianity consistency condition.

Spectral methods in general relativity and large Randall-Sundrum II black holes

NASA Astrophysics Data System (ADS)

Abdolrahimi, Shohreh; Cattoën, Céline; Page, Don N.; \\\\; Yaghoobpour-Tari, Shima

2013-06-01

Using a novel numerical spectral method, we have found solutions for large static Randall-Sundrum II (RSII) black holes by perturbing a numerical AdS5-CFT4 solution to the Einstein equation with a negative cosmological constant Λ that is asymptotically conformal to the Schwarzschild metric. We used a numerical spectral method independent of the Ricci-DeTurck-flow method used by Figueras, Lucietti, and Wiseman for a similar numerical solution. We have compared our black-hole solution to the one Figueras and Wiseman have derived by perturbing their numerical AdS5-CFT4 solution, showing that our solution agrees closely with theirs. We have obtained a closed-form approximation to the metric of the black hole on the brane. We have also deduced the new results that to first order in 1/(-ΛM2), the Hawking temperature and entropy of an RSII static black hole have the same values as the Schwarzschild metric with the same mass, but the horizon area is increased by about 4.7/(-Λ).

Single-scale renormalisation group improvement of multi-scale effective potentials

NASA Astrophysics Data System (ADS)

Chataignier, Leonardo; Prokopec, Tomislav; Schmidt, Michael G.; Świeżewska, Bogumiła

2018-03-01

We present a new method for renormalisation group improvement of the effective potential of a quantum field theory with an arbitrary number of scalar fields. The method amounts to solving the renormalisation group equation for the effective potential with the boundary conditions chosen on the hypersurface where quantum corrections vanish. This hypersurface is defined through a suitable choice of a field-dependent value for the renormalisation scale. The method can be applied to any order in perturbation theory and it is a generalisation of the standard procedure valid for the one-field case. In our method, however, the choice of the renormalisation scale does not eliminate individual logarithmic terms but rather the entire loop corrections to the effective potential. It allows us to evaluate the improved effective potential for arbitrary values of the scalar fields using the tree-level potential with running coupling constants as long as they remain perturbative. This opens the possibility of studying various applications which require an analysis of multi-field effective potentials across different energy scales. In particular, the issue of stability of the scalar potential can be easily studied beyond tree level.

Direct versus indirect many-body methods for calculating vertical electron affinities: applications to F -, OH - , NH 2-, CN -, Cl -, SH - and PH 2-

NASA Astrophysics Data System (ADS)

Ortiz, J. V.

1987-05-01

Electron propagator theory (EPT) is applied to calculating vertical ionization energies of the anions F -, Cl -, OH -,SH -, NH 2-, PH 2- and CN -. Third-order and outer valence approximation (OVA) quasiparticle calculations are compared with ΔMBPT(4) (MBPT, many-body perturbation theory) results using the same basis sets. Agreement with experiment is satisfactory for EPT calculations except for F - and OH -, while the ΔMBPT treatments fail for CN -. EPT(OVA) estimates are reliable when the discrepancy between second- and third-order results is small. Computational aspects are discussed, showing relative merits of direct and indirect methods for evaluating electron binding energies.

On the contribution of vibrational anharmonicity to the binding energies of water clusters.

PubMed

Diri, Kadir; Myshakin, Evgeniy M; Jordan, Kenneth D

2005-05-05

The second-order vibrational perturbation theory method has been used together with the B3LYP and MP2 electronic structure methods to investigate the effects of anharmonicity on the vibrational zero-point energy (ZPE) contributions to the binding energies of (H2O)n, n = 2-6, clusters. For the low-lying isomers of (H2O)6, the anharmonicity correction to the binding energy is calculated to range from -248 to -355 cm(-1). It is also demonstrated that although high-order electron correlation effects are important for the individual vibrational frequencies, they are relatively unimportant for the net ZPE contributions to the binding energies of water clusters.

The study of the behaviour of a disturbed semi-infinite liquid jet using a spatial instability method

NASA Astrophysics Data System (ADS)

Basu (‧nee De), Shukla

2001-11-01

A study has been made of the behaviour of a disturbed semi-infinite liquid jet using a spatial instability method. A sinusoidal disturbance in the axial component of jet velocity at the nozzle is considered which resulted in an elliptic free surface boundary value problem with two non-linear boundary conditions. The system is linearised using perturbation techniques and the first order solution resulted in the dispersion relation. The jet stability is found to depend explicitly on the frequency of the disturbance and the Weber number. The second and third order solutions have been derived analytically which are used to predict on jet break-up and satellite formation.

HQET form factors for Bs → Klv decays beyond leading order

NASA Astrophysics Data System (ADS)

Banerjee, Debasish; Koren, Mateusz; Simma, Hubert; Sommer, Rainer

2018-03-01

We compute semi-leptonic Bs decay form factors using Heavy Quark Effective Theory on the lattice. To obtain good control of the 1 /mb expansion, one has to take into account not only the leading static order but also the terms arising at O (1/mb): kinetic, spin and current insertions. We show results for these terms calculated through the ratio method, using our prior results for the static order. After combining them with non-perturbative HQET parameters they can be continuum-extrapolated to give the QCD form factor correct up to O (1/mb2) corrections and without O (αs(mb)n) corrections.

Approximate optimal guidance for the advanced launch system

NASA Technical Reports Server (NTRS)

Feeley, T. S.; Speyer, J. L.

1993-01-01

A real-time guidance scheme for the problem of maximizing the payload into orbit subject to the equations of motion for a rocket over a spherical, non-rotating earth is presented. An approximate optimal launch guidance law is developed based upon an asymptotic expansion of the Hamilton - Jacobi - Bellman or dynamic programming equation. The expansion is performed in terms of a small parameter, which is used to separate the dynamics of the problem into primary and perturbation dynamics. For the zeroth-order problem the small parameter is set to zero and a closed-form solution to the zeroth-order expansion term of Hamilton - Jacobi - Bellman equation is obtained. Higher-order terms of the expansion include the effects of the neglected perturbation dynamics. These higher-order terms are determined from the solution of first-order linear partial differential equations requiring only the evaluation of quadratures. This technique is preferred as a real-time, on-line guidance scheme to alternative numerical iterative optimization schemes because of the unreliable convergence properties of these iterative guidance schemes and because the quadratures needed for the approximate optimal guidance law can be performed rapidly and by parallel processing. Even if the approximate solution is not nearly optimal, when using this technique the zeroth-order solution always provides a path which satisfies the terminal constraints. Results for two-degree-of-freedom simulations are presented for the simplified problem of flight in the equatorial plane and compared to the guidance scheme generated by the shooting method which is an iterative second-order technique.

Gauge-transformation properties of cosmological observables and its application to the light-cone average

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoo, Jaiyul; Durrer, Ruth, E-mail: jyoo@physik.uzh.ch, E-mail: ruth.durrer@unige.ch

Theoretical descriptions of observable quantities in cosmological perturbation theory should be independent of coordinate systems. This statement is often referred to as gauge-invariance of observable quantities, and the sanity of their theoretical description is verified by checking its gauge-invariance. We argue that cosmological observables are invariant scalars under diffeomorphisms and their theoretical description is gauge-invariant, only at linear order in perturbations. Beyond linear order, they are usually not gauge-invariant, and we provide the general law for the gauge-transformation that the perturbation part of an observable does obey. We apply this finding to derive the second-order expression for the observational light-conemore » average in cosmology and demonstrate that our expression is indeed invariant under diffeomorphisms.« less

Analysis for maladjustment properties of passive confocal unstable resonator by using Hartmann-Shack wavefront sensor

NASA Astrophysics Data System (ADS)

Zhang, Xiang; Xiang, Anping

2007-12-01

The effect of intracavity aberration perturbation on output mode structure properties of passive confocal unstable resonator is been experimentally researched by adopting Hartmann-Shack method on the basis of numerical simulation. The results show that intracavity tilt aberration affects the outcoupled intensity distribution, but only a small intracavity tilt perturbation will not obviously augment the high-order aberrations of beam phase properties. The tilt aberration, coma aberration and astigmatism will all be brought, and also tilt aberration is the main component when intracavity mirrors have a vertical movement along the direction of optic axis. When adaptive optical elements such as deformable mirrors are adopted for intracavity aberration correction, the correction for tilt aberration should be considered at first.

The algebraic-hyperbolic approach to the linearized gravitational constraints on a Minkowski background

NASA Astrophysics Data System (ADS)

Winicour, Jeffrey

2017-08-01

An algebraic-hyperbolic method for solving the Hamiltonian and momentum constraints has recently been shown to be well posed for general nonlinear perturbations of the initial data for a Schwarzschild black hole. This is a new approach to solving the constraints of Einstein’s equations which does not involve elliptic equations and has potential importance for the construction of binary black hole data. In order to shed light on the underpinnings of this approach, we consider its application to obtain solutions of the constraints for linearized perturbations of Minkowski space. In that case, we find the surprising result that there are no suitable Cauchy hypersurfaces in Minkowski space for which the linearized algebraic-hyperbolic constraint problem is well posed.

Singularity and stability in a periodic system of particle accelerators

NASA Astrophysics Data System (ADS)

Cai, Yunhai

2018-05-01

We study the single-particle dynamics in a general and parametrized alternating-gradient cell with zero chromaticity using the Lie algebra method. To our surprise, the first-order perturbation of the sextupoles largely determines the dynamics away from the major resonances. The dynamic aperture can be estimated from the topology and geometry of the phase space. In the linearly normalized phase space, it is scaled according to A ¯ ∝ϕ √{L } , where ϕ is the bending angle and L the length of the cell. For the 2 degrees of freedom with equal betatron tunes, the analytical perturbation theory leads us to the invariant or quasi-invariant tori, which play an important role in determining the stable volume in the four-dimensional phase space.

A new line-of-sight approach to the non-linear Cosmic Microwave Background

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fidler, Christian; Koyama, Kazuya; Pettinari, Guido W., E-mail: christian.fidler@port.ac.uk, E-mail: kazuya.koyama@port.ac.uk, E-mail: guido.pettinari@gmail.com

2015-04-01

We develop the transport operator formalism, a new line-of-sight integration framework to calculate the anisotropies of the Cosmic Microwave Background (CMB) at the linear and non-linear level. This formalism utilises a transformation operator that removes all inhomogeneous propagation effects acting on the photon distribution function, thus achieving a split between perturbative collisional effects at recombination and non-perturbative line-of-sight effects at later times. The former can be computed in the framework of standard cosmological perturbation theory with a second-order Boltzmann code such as SONG, while the latter can be treated within a separate perturbative scheme allowing the use of non-linear Newtonianmore » potentials. We thus provide a consistent framework to compute all physical effects contained in the Boltzmann equation and to combine the standard remapping approach with Boltzmann codes at any order in perturbation theory, without assuming that all sources are localised at recombination.« less

Perturbative expansions from Monte Carlo simulations at weak coupling: Wilson loops and the static-quark self-energy

NASA Astrophysics Data System (ADS)

Trottier, H. D.; Shakespeare, N. H.; Lepage, G. P.; MacKenzie, P. B.

2002-05-01

Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. Simulations of the Wilson gluon action are done with both periodic and twisted boundary conditions, and over a wide range of lattice volumes (from 34 to 164) and couplings (from β~9 to β~60). A high precision comparison is made between the simulation data and results from finite-volume lattice perturbation theory. The Monte Carlo results are shown to be in excellent agreement with perturbation theory through second order. New results for third-order coefficients for a number of Wilson loops and the static-quark self-energy are reported.

Effect of second-order exchange in electron-hydrogen scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Madison, D.H.; Bray, I.; McCarthy, I.

1990-05-07

The electron-hydrogen scattering problem has been a nemesis to theoretical atomic physicists due to the fact that even the most sophisticated of theoretical calculations, both perturbative and nonperturbative, do not agree with experiment. The current opinion is that the perturbative approach cannot be used for this problem since recent second-order calculations are not in agreement with the experimental data and higher-order calculations are deemed impractical. However, these second-order calculations neglected second-order exchange. We have now added exchange to the second-order calculation and have found that the primary source of disagreement between experiment and theory for intermediate energies is attributable notmore » to higher-order terms but to second-order exchange.« less

Tensor renormalization group methods for spin and gauge models

NASA Astrophysics Data System (ADS)

Zou, Haiyuan

The analysis of the error of perturbative series by comparing it to the exact solution is an important tool to understand the non-perturbative physics of statistical models. For some toy models, a new method can be used to calculate higher order weak coupling expansion and modified perturbation theory can be constructed. However, it is nontrivial to generalize the new method to understand the critical behavior of high dimensional spin and gauge models. Actually, it is a big challenge in both high energy physics and condensed matter physics to develop accurate and efficient numerical algorithms to solve these problems. In this thesis, one systematic way named tensor renormalization group method is discussed. The applications of the method to several spin and gauge models on a lattice are investigated. theoretically, the new method allows one to write an exact representation of the partition function of models with local interactions. E.g. O(N) models, Z2 gauge models and U(1) gauge models. Practically, by using controllable approximations, results in both finite volume and the thermodynamic limit can be obtained. Another advantage of the new method is that it is insensitive to sign problems for models with complex coupling and chemical potential. Through the new approach, the Fisher's zeros of the 2D O(2) model in the complex coupling plane can be calculated and the finite size scaling of the results agrees well with the Kosterlitz-Thouless assumption. Applying the method to the O(2) model with a chemical potential, new phase diagram of the models can be obtained. The structure of the tensor language may provide a new tool to understand phase transition properties in general.

Application of Linear and Non-Linear Harmonic Methods for Unsteady Transonic Flow

NASA Astrophysics Data System (ADS)

Gundevia, Rayomand

This thesis explores linear and non-linear computational methods for solving unsteady flow. The eventual goal is to apply these methods to two-dimensional and three-dimensional flutter predictions. In this study the quasi-one-dimensional nozzle is used as a framework for understanding these methods and their limitations. Subsonic and transonic cases are explored as the back-pressure is forced to oscillate with known amplitude and frequency. A steady harmonic approach is used to solve this unsteady problem for which perturbations are said to be small in comparison to the mean flow. The use of a linearized Euler equations (LEE) scheme is good at capturing the flow characteristics but is limited by accuracy to relatively small amplitude perturbations. The introduction of time-averaged second-order terms in the Non-Linear Harmonic (NLH) method means that a better approximation of the mean-valued solution, upon which the linearization is based, can be made. The nonlinear time-accurate Euler solutions are used for comparison and to establish the regimes of unsteadiness for which these schemes fails. The usefulness of the LEE and NLH methods lie in the gains in computational efficiency over the full equations.

Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

NASA Astrophysics Data System (ADS)

Datta, Dipayan; Kossmann, Simone; Neese, Frank

2016-09-01

The domain-based local pair-natural orbital coupled-cluster (DLPNO-CC) theory has recently emerged as an efficient and powerful quantum-chemical method for the calculation of energies of molecules comprised of several hundred atoms. It has been demonstrated that the DLPNO-CC approach attains the accuracy of a standard canonical coupled-cluster calculation to about 99.9% of the basis set correlation energy while realizing linear scaling of the computational cost with respect to system size. This is achieved by combining (a) localized occupied orbitals, (b) large virtual orbital correlation domains spanned by the projected atomic orbitals (PAOs), and (c) compaction of the virtual space through a truncated pair natural orbital (PNO) basis. In this paper, we report on the implementation of an analytic scheme for the calculation of the first derivatives of the DLPNO-CC energy for basis set independent perturbations within the singles and doubles approximation (DLPNO-CCSD) for closed-shell molecules. Perturbation-independent one-particle density matrices have been implemented in order to account for the response of the CC wave function to the external perturbation. Orbital-relaxation effects due to external perturbation are not taken into account in the current implementation. We investigate in detail the dependence of the computed first-order electrical properties (e.g., dipole moment) on the three major truncation parameters used in a DLPNO-CC calculation, namely, the natural orbital occupation number cutoff used for the construction of the PNOs, the weak electron-pair cutoff, and the domain size cutoff. No additional truncation parameter has been introduced for property calculation. We present benchmark calculations on dipole moments for a set of 10 molecules consisting of 20-40 atoms. We demonstrate that 98%-99% accuracy relative to the canonical CCSD results can be consistently achieved in these calculations. However, this comes with the price of tightening the threshold for the natural orbital occupation number cutoff by an order of magnitude compared to the DLPNO-CCSD energy calculations.

Destruction of Invariant Surfaces and Magnetic Coordinates for Perturbed Magnetic Fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

S.R. Hudson

2003-11-20

Straight-field-line coordinates are constructed for nearly integrable magnetic fields. The coordinates are based on the robust, noble-irrational rotational-transform surfaces, whose existence is determined by an application of Greene's residue criterion. A simple method to locate these surfaces is described. Sequences of surfaces with rotational-transform converging to low order rationals maximize the region of straight-field-line coordinates.

Continued-fraction representation of the Kraus map for non-Markovian reservoir damping

NASA Astrophysics Data System (ADS)

van Wonderen, A. J.; Suttorp, L. G.

2018-04-01

Quantum dissipation is studied for a discrete system that linearly interacts with a reservoir of harmonic oscillators at thermal equilibrium. Initial correlations between system and reservoir are assumed to be absent. The dissipative dynamics as determined by the unitary evolution of system and reservoir is described by a Kraus map consisting of an infinite number of matrices. For all Laplace-transformed Kraus matrices exact solutions are constructed in terms of continued fractions that depend on the pair correlation functions of the reservoir. By performing factorizations in the Kraus map a perturbation theory is set up that conserves in arbitrary perturbative order both positivity and probability of the density matrix. The latter is determined by an integral equation for a bitemporal matrix and a finite hierarchy for Kraus matrices. In the lowest perturbative order this hierarchy reduces to one equation for one Kraus matrix. Its solution is given by a continued fraction of a much simpler structure as compared to the non-perturbative case. In the lowest perturbative order our non-Markovian evolution equations are applied to the damped Jaynes–Cummings model. From the solution for the atomic density matrix it is found that the atom may remain in the state of maximum entropy for a significant time span that depends on the initial energy of the radiation field.

Accuracy of perturbative master equations.

PubMed

Fleming, C H; Cummings, N I

2011-03-01

We consider open quantum systems with dynamics described by master equations that have perturbative expansions in the system-environment interaction. We show that, contrary to intuition, full-time solutions of order-2n accuracy require an order-(2n+2) master equation. We give two examples of such inaccuracies in the solutions to an order-2n master equation: order-2n inaccuracies in the steady state of the system and order-2n positivity violations. We show how these arise in a specific example for which exact solutions are available. This result has a wide-ranging impact on the validity of coupling (or friction) sensitive results derived from second-order convolutionless, Nakajima-Zwanzig, Redfield, and Born-Markov master equations.

Statistical Mechanics of Node-perturbation Learning with Noisy Baseline

NASA Astrophysics Data System (ADS)

Hara, Kazuyuki; Katahira, Kentaro; Okada, Masato

2017-02-01

Node-perturbation learning is a type of statistical gradient descent algorithm that can be applied to problems where the objective function is not explicitly formulated, including reinforcement learning. It estimates the gradient of an objective function by using the change in the object function in response to the perturbation. The value of the objective function for an unperturbed output is called a baseline. Cho et al. proposed node-perturbation learning with a noisy baseline. In this paper, we report on building the statistical mechanics of Cho's model and on deriving coupled differential equations of order parameters that depict learning dynamics. We also show how to derive the generalization error by solving the differential equations of order parameters. On the basis of the results, we show that Cho's results are also apply in general cases and show some general performances of Cho's model.

A low order flow/acoustics interaction method for the prediction of sound propagation using 3D adaptive hybrid grids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kallinderis, Yannis, E-mail: kallind@otenet.gr; Vitsas, Panagiotis A.; Menounou, Penelope

2012-07-15

A low-order flow/acoustics interaction method for the prediction of sound propagation and diffraction in unsteady subsonic compressible flow using adaptive 3-D hybrid grids is investigated. The total field is decomposed into the flow field described by the Euler equations, and the acoustics part described by the Nonlinear Perturbation Equations. The method is shown capable of predicting monopole sound propagation, while employment of acoustics-guided adapted grid refinement improves the accuracy of capturing the acoustic field. Interaction of sound with solid boundaries is also examined in terms of reflection, and diffraction. Sound propagation through an unsteady flow field is examined using staticmore » and dynamic flow/acoustics coupling demonstrating the importance of the latter.« less

Second-order Cosmological Perturbations Engendered by Point-like Masses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brilenkov, Ruslan; Eingorn, Maxim, E-mail: ruslan.brilenkov@gmail.com, E-mail: maxim.eingorn@gmail.com

2017-08-20

In the ΛCDM framework, presenting nonrelativistic matter inhomogeneities as discrete massive particles, we develop the second‐order cosmological perturbation theory. Our approach relies on the weak gravitational field limit. The derived equations for the second‐order scalar, vector, and tensor metric corrections are suitable at arbitrary distances, including regions with nonlinear contrasts of the matter density. We thoroughly verify fulfillment of all Einstein equations, as well as self‐consistency of order assignments. In addition, we achieve logical positive results in the Minkowski background limit. Feasible investigations of the cosmological back-reaction manifestations by means of relativistic simulations are also outlined.

A unified framework for unraveling the functional interaction structure of a biomolecular network based on stimulus-response experimental data.

PubMed

Cho, Kwang-Hyun; Choo, Sang-Mok; Wellstead, Peter; Wolkenhauer, Olaf

2005-08-15

We propose a unified framework for the identification of functional interaction structures of biomolecular networks in a way that leads to a new experimental design procedure. In developing our approach, we have built upon previous work. Thus we begin by pointing out some of the restrictions associated with existing structure identification methods and point out how these restrictions may be eased. In particular, existing methods use specific forms of experimental algebraic equations with which to identify the functional interaction structure of a biomolecular network. In our work, we employ an extended form of these experimental algebraic equations which, while retaining their merits, also overcome some of their disadvantages. Experimental data are required in order to estimate the coefficients of the experimental algebraic equation set associated with the structure identification task. However, experimentalists are rarely provided with guidance on which parameters to perturb, and to what extent, to perturb them. When a model of network dynamics is required then there is also the vexed question of sample rate and sample time selection to be resolved. Supplying some answers to these questions is the main motivation of this paper. The approach is based on stationary and/or temporal data obtained from parameter perturbations, and unifies the previous approaches of Kholodenko et al. (PNAS 99 (2002) 12841-12846) and Sontag et al. (Bioinformatics 20 (2004) 1877-1886). By way of demonstration, we apply our unified approach to a network model which cannot be properly identified by existing methods. Finally, we propose an experiment design methodology, which is not limited by the amount of parameter perturbations, and illustrate its use with an in numero example.

A new method for sudden mechanical perturbation with axial load, to assess postural control in sitting and standing.

PubMed

Claus, Andrew P; Verrel, Julius; Pounds, Paul E I; Shaw, Renee C; Brady, Niamh; Chew, Min T; Dekkers, Thomas A; Hodges, Paul W

2016-05-03

Sudden application of load along a sagittal or coronal axis has been used to study trunk stiffness, but not axial (vertical) load. This study introduces a new method for sudden-release axial load perturbation. Prima facie validity was supported by comparison with standard mechanical systems. We report the response of the human body to axial perturbation in sitting and standing and within-day repeatability of measures. Load of 20% of body weight was released from light contact onto the shoulders of 22 healthy participants (10 males). Force input was measured via force transducers at shoulders, output via a force plate below the participant, and kinematics via 3-D motion capture. System identification was used to fit data from the time of load release to time of peak load-displacement, fitting with a 2nd-order mass-spring-damper system with a delay term. At peak load-displacement, the mean (SD) effective stiffness measured with this device for participants in sitting was 12.0(3.4)N/mm, and in standing was 13.3(4.2)N/mm. Peak force output exceeded input by 44.8 (10.0)% in sitting and by 30.4(7.9)% in standing. Intra-class correlation coefficients for within-day repeatability of axial stiffness were 0.58 (CI: -0.03 to 0.83) in sitting and 0.82(0.57-0.93) in standing. Despite greater degrees of freedom in standing than sitting, standing involved lesser time, downward displacement, peak output force and was more repeatable in defending upright postural control against the same axial loads. This method provides a foundation for future studies of neuromuscular control with axial perturbation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Gravitational perturbations and metric reconstruction: Method of extended homogeneous solutions applied to eccentric orbits on a Schwarzschild black hole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hopper, Seth; Evans, Charles R.

2010-10-15

We calculate the gravitational perturbations produced by a small mass in eccentric orbit about a much more massive Schwarzschild black hole and use the numerically computed perturbations to solve for the metric. The calculations are initially made in the frequency domain and provide Fourier-harmonic modes for the gauge-invariant master functions that satisfy inhomogeneous versions of the Regge-Wheeler and Zerilli equations. These gravitational master equations have specific singular sources containing both delta function and derivative-of-delta function terms. We demonstrate in this paper successful application of the method of extended homogeneous solutions, developed recently by Barack, Ori, and Sago, to handle sourcemore » terms of this type. The method allows transformation back to the time domain, with exponential convergence of the partial mode sums that represent the field. This rapid convergence holds even in the region of r traversed by the point mass and includes the time-dependent location of the point mass itself. We present numerical results of mode calculations for certain orbital parameters, including highly accurate energy and angular momentum fluxes at infinity and at the black hole event horizon. We then address the issue of reconstructing the metric perturbation amplitudes from the master functions, the latter being weak solutions of a particular form to the wave equations. The spherical harmonic amplitudes that represent the metric in Regge-Wheeler gauge can themselves be viewed as weak solutions. They are in general a combination of (1) two differentiable solutions that adjoin at the instantaneous location of the point mass (a result that has order of continuity C{sup -1} typically) and (2) (in some cases) a delta function distribution term with a computable time-dependent amplitude.« less

Computation of the free energy due to electron density fluctuation of a solute in solution: A QM/MM method with perturbation approach combined with a theory of solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suzuoka, Daiki; Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Morita, Akihiro

2014-04-07

We developed a perturbation approach to compute solvation free energy Δμ within the framework of QM (quantum mechanical)/MM (molecular mechanical) method combined with a theory of energy representation (QM/MM-ER). The energy shift η of the whole system due to the electronic polarization of the solute is evaluated using the second-order perturbation theory (PT2), where the electric field formed by surrounding solvent molecules is treated as the perturbation to the electronic Hamiltonian of the isolated solute. The point of our approach is that the energy shift η, thus obtained, is to be adopted for a novel energy coordinate of the distributionmore » functions which serve as fundamental variables in the free energy functional developed in our previous work. The most time-consuming part in the QM/MM-ER simulation can be, thus, avoided without serious loss of accuracy. For our benchmark set of molecules, it is demonstrated that the PT2 approach coupled with QM/MM-ER gives hydration free energies in excellent agreements with those given by the conventional method utilizing the Kohn-Sham SCF procedure except for a few molecules in the benchmark set. A variant of the approach is also proposed to deal with such difficulties associated with the problematic systems. The present approach is also advantageous to parallel implementations. We examined the parallel efficiency of our PT2 code on multi-core processors and found that the speedup increases almost linearly with respect to the number of cores. Thus, it was demonstrated that QM/MM-ER coupled with PT2 deserves practical applications to systems of interest.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bleiziffer, Patrick, E-mail: patrick.bleiziffer@fau.de; Krug, Marcel; Görling, Andreas

A self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation (ACFD) theorem, employing the frequency-dependent exact exchange kernel f{sub x} is presented. The resulting SC-exact-exchange-only (EXX)-ACFD method leads to even more accurate correlation potentials than those obtained within the direct random phase approximation (dRPA). In contrast to dRPA methods, not only the Coulomb kernel but also the exact exchange kernel f{sub x} is taken into account in the EXX-ACFD correlation which results in a method that, unlike dRPA methods, is free of self-correlations, i.e., a method that treats exactly all one-electron systems, like, e.g., the hydrogen atom. The self-consistent evaluation ofmore » EXX-ACFD total energies improves the accuracy compared to EXX-ACFD total energies evaluated non-self-consistently with EXX or dRPA orbitals and eigenvalues. Reaction energies of a set of small molecules, for which highly accurate experimental reference data are available, are calculated and compared to quantum chemistry methods like Møller-Plesset perturbation theory of second order (MP2) or coupled cluster methods [CCSD, coupled cluster singles, doubles, and perturbative triples (CCSD(T))]. Moreover, we compare our methods to other ACFD variants like dRPA combined with perturbative corrections such as the second order screened exchange corrections or a renormalized singles correction. Similarly, the performance of our EXX-ACFD methods is investigated for the non-covalently bonded dimers of the S22 reference set and for potential energy curves of noble gas, water, and benzene dimers. The computational effort of the SC-EXX-ACFD method exhibits the same scaling of N{sup 5} with respect to the system size N as the non-self-consistent evaluation of only the EXX-ACFD correlation energy; however, the prefactor increases significantly. Reaction energies from the SC-EXX-ACFD method deviate quite little from EXX-ACFD energies obtained non-self-consistently with dRPA orbitals and eigenvalues, and the deviation reduces even further if the Coulomb kernel is scaled by a factor of 0.75 in the dRPA to reduce self-correlations in the dRPA correlation potential. For larger systems, such a non-self-consistent EXX-ACFD method is a competitive alternative to high-level wave-function-based methods, yielding higher accuracy than MP2 and CCSD methods while exhibiting a better scaling of the computational effort than CCSD or CCSD(T) methods. Moreover, EXX-ACFD methods were shown to be applicable in situation characterized by static correlation.« less

FIRST-ORDER COSMOLOGICAL PERTURBATIONS ENGENDERED BY POINT-LIKE MASSES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eingorn, Maxim, E-mail: maxim.eingorn@gmail.com

2016-07-10

In the framework of the concordance cosmological model, the first-order scalar and vector perturbations of the homogeneous background are derived in the weak gravitational field limit without any supplementary approximations. The sources of these perturbations (inhomogeneities) are presented in the discrete form of a system of separate point-like gravitating masses. The expressions found for the metric corrections are valid at all (sub-horizon and super-horizon) scales and converge at all points except at the locations of the sources. The average values of these metric corrections are zero (thus, first-order backreaction effects are absent). Both the Minkowski background limit and the Newtonianmore » cosmological approximation are reached under certain well-defined conditions. An important feature of the velocity-independent part of the scalar perturbation is revealed: up to an additive constant, this part represents a sum of Yukawa potentials produced by inhomogeneities with the same finite time-dependent Yukawa interaction range. The suggested connection between this range and the homogeneity scale is briefly discussed along with other possible physical implications.« less

Additive Runge-Kutta Schemes for Convection-Diffusion-Reaction Equations

NASA Technical Reports Server (NTRS)

Kennedy, Christopher A.; Carpenter, Mark H.

2001-01-01

Additive Runge-Kutta (ARK) methods are investigated for application to the spatially discretized one-dimensional convection-diffusion-reaction (CDR) equations. First, accuracy, stability, conservation, and dense output are considered for the general case when N different Runge-Kutta methods are grouped into a single composite method. Then, implicit-explicit, N = 2, additive Runge-Kutta ARK2 methods from third- to fifth-order are presented that allow for integration of stiff terms by an L-stable, stiffly-accurate explicit, singly diagonally implicit Runge-Kutta (ESDIRK) method while the nonstiff terms are integrated with a traditional explicit Runge-Kutta method (ERK). Coupling error terms are of equal order to those of the elemental methods. Derived ARK2 methods have vanishing stability functions for very large values of the stiff scaled eigenvalue, z(exp [I]) goes to infinity, and retain high stability efficiency in the absence of stiffness, z(exp [I]) goes to zero. Extrapolation-type stage-value predictors are provided based on dense-output formulae. Optimized methods minimize both leading order ARK2 error terms and Butcher coefficient magnitudes as well as maximize conservation properties. Numerical tests of the new schemes on a CDR problem show negligible stiffness leakage and near classical order convergence rates. However, tests on three simple singular-perturbation problems reveal generally predictable order reduction. Error control is best managed with a PID-controller. While results for the fifth-order method are disappointing, both the new third- and fourth-order methods are at least as efficient as existing ARK2 methods while offering error control and stage-value predictors.

A Least-Squares-Based Weak Galerkin Finite Element Method for Second Order Elliptic Equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mu, Lin; Wang, Junping; Ye, Xiu

Here, in this article, we introduce a least-squares-based weak Galerkin finite element method for the second order elliptic equation. This new method is shown to provide very accurate numerical approximations for both the primal and the flux variables. In contrast to other existing least-squares finite element methods, this new method allows us to use discontinuous approximating functions on finite element partitions consisting of arbitrary polygon/polyhedron shapes. We also develop a Schur complement algorithm for the resulting discretization problem by eliminating all the unknowns that represent the solution information in the interior of each element. Optimal order error estimates for bothmore » the primal and the flux variables are established. An extensive set of numerical experiments are conducted to demonstrate the robustness, reliability, flexibility, and accuracy of the least-squares-based weak Galerkin finite element method. Finally, the numerical examples cover a wide range of applied problems, including singularly perturbed reaction-diffusion equations and the flow of fluid in porous media with strong anisotropy and heterogeneity.« less

A Least-Squares-Based Weak Galerkin Finite Element Method for Second Order Elliptic Equations

DOE PAGES

Mu, Lin; Wang, Junping; Ye, Xiu

2017-08-17

Here, in this article, we introduce a least-squares-based weak Galerkin finite element method for the second order elliptic equation. This new method is shown to provide very accurate numerical approximations for both the primal and the flux variables. In contrast to other existing least-squares finite element methods, this new method allows us to use discontinuous approximating functions on finite element partitions consisting of arbitrary polygon/polyhedron shapes. We also develop a Schur complement algorithm for the resulting discretization problem by eliminating all the unknowns that represent the solution information in the interior of each element. Optimal order error estimates for bothmore » the primal and the flux variables are established. An extensive set of numerical experiments are conducted to demonstrate the robustness, reliability, flexibility, and accuracy of the least-squares-based weak Galerkin finite element method. Finally, the numerical examples cover a wide range of applied problems, including singularly perturbed reaction-diffusion equations and the flow of fluid in porous media with strong anisotropy and heterogeneity.« less

Effective gravitational couplings for cosmological perturbations in generalized Proca theories

NASA Astrophysics Data System (ADS)

De Felice, Antonio; Heisenberg, Lavinia; Kase, Ryotaro; Mukohyama, Shinji; Tsujikawa, Shinji; Zhang, Ying-li

2016-08-01

We consider the finite interactions of the generalized Proca theory including the sixth-order Lagrangian and derive the full linear perturbation equations of motion on the flat Friedmann-Lemaître-Robertson-Walker background in the presence of a matter perfect fluid. By construction, the propagating degrees of freedom (besides the matter perfect fluid) are two transverse vector perturbations, one longitudinal scalar, and two tensor polarizations. The Lagrangians associated with intrinsic vector modes neither affect the background equations of motion nor the second-order action of tensor perturbations, but they do give rise to nontrivial modifications to the no-ghost condition of vector perturbations and to the propagation speeds of vector and scalar perturbations. We derive the effective gravitational coupling Geff with matter density perturbations under a quasistatic approximation on scales deep inside the sound horizon. We find that the existence of intrinsic vector modes allows a possibility for reducing Geff. In fact, within the parameter space, Geff can be even smaller than the Newton gravitational constant G at the late cosmological epoch, with a peculiar phantom dark energy equation of state (without ghosts). The modifications to the slip parameter η and the evolution of the growth rate f σ8 are discussed as well. Thus, dark energy models in the framework of generalized Proca theories can be observationally distinguished from the Λ CDM model according to both cosmic growth and expansion history. Furthermore, we study the evolution of vector perturbations and show that outside the vector sound horizon the perturbations are nearly frozen and start to decay with oscillations after the horizon entry.

Axion as a cold dark matter candidate: analysis to third order perturbation for classical axion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noh, Hyerim; Hwang, Jai-chan; Park, Chan-Gyung, E-mail: hr@kasi.re.kr, E-mail: jchan@knu.ac.kr, E-mail: park.chan.gyung@gmail.com

2015-12-01

We investigate aspects of axion as a coherently oscillating massive classical scalar field by analyzing third order perturbations in Einstein's gravity in the axion-comoving gauge. The axion fluid has its characteristic pressure term leading to an axion Jeans scale which is cosmologically negligible for a canonical axion mass. Our classically derived axion pressure term in Einstein's gravity is identical to the one derived in the non-relativistic quantum mechanical context in the literature. We present the general relativistic continuity and Euler equations for an axion fluid valid up to third order perturbation. Equations for axion are exactly the same as thatmore » of a zero-pressure fluid in Einstein's gravity except for an axion pressure term in the Euler equation. Our analysis includes the cosmological constant.« less

A modified homotopy perturbation method and the axial secular frequencies of a non-linear ion trap.

PubMed

Doroudi, Alireza

2012-01-01

In this paper, a modified version of the homotopy perturbation method, which has been applied to non-linear oscillations by V. Marinca, is used for calculation of axial secular frequencies of a non-linear ion trap with hexapole and octopole superpositions. The axial equation of ion motion in a rapidly oscillating field of an ion trap can be transformed to a Duffing-like equation. With only octopole superposition the resulted non-linear equation is symmetric; however, in the presence of hexapole and octopole superpositions, it is asymmetric. This modified homotopy perturbation method is used for solving the resulting non-linear equations. As a result, the ion secular frequencies as a function of non-linear field parameters are obtained. The calculated secular frequencies are compared with the results of the homotopy perturbation method and the exact results. With only hexapole superposition, the results of this paper and the homotopy perturbation method are the same and with hexapole and octopole superpositions, the results of this paper are much more closer to the exact results compared with the results of the homotopy perturbation method.

A new method for computing the gyrocenter orbit in the tokamak configuration

NASA Astrophysics Data System (ADS)

Xu, Yingfeng

2013-10-01

Gyrokinetic theory is an important tool for studying the long-time behavior of magnetized plasmas in Tokamaks. The gyrocenter trajectory determined by the gyrocenter equations of motion can be computed by using a special kind of the Lie-transform perturbation method. The corresponding Lie-transform called I-transform makes that the transformed equations of motion have the same form as the unperturbed ones. The gyrocenter trajectory in short time is divided into two parts. One is along the unperturbed orbit. The other one, which is related to perturbation, is determined by the I-transform generating vector. The numerical gyrocenter orbit code based on this new method has been developed in the tokamak configuration and benchmarked with the other orbit code in some simple cases. Furthermore, it is clearly demonstrated that this new method for computing gyrocenter orbit is equivalent to the gyrocenter Hamilton equations of motion up to the second order in timestep. The new method can be applied to the gyrokinetic simulation. The gyrocenter orbit of the unperturbed part determined by the equilibrium fields can be computed previously in the gyrokinetic simulation, and the corresponding time consumption is neglectable.

Magnetohydrodynamic Flow by a Stretching Cylinder with Newtonian Heating and Homogeneous-Heterogeneous Reactions

PubMed Central

Hayat, T.; Hussain, Zakir; Alsaedi, A.; Farooq, M.

2016-01-01

This article examines the effects of homogeneous-heterogeneous reactions and Newtonian heating in magnetohydrodynamic (MHD) flow of Powell-Eyring fluid by a stretching cylinder. The nonlinear partial differential equations of momentum, energy and concentration are reduced to the nonlinear ordinary differential equations. Convergent solutions of momentum, energy and reaction equations are developed by using homotopy analysis method (HAM). This method is very efficient for development of series solutions of highly nonlinear differential equations. It does not depend on any small or large parameter like the other methods i. e., perturbation method, δ—perturbation expansion method etc. We get more accurate result as we increase the order of approximations. Effects of different parameters on the velocity, temperature and concentration distributions are sketched and discussed. Comparison of present study with the previous published work is also made in the limiting sense. Numerical values of skin friction coefficient and Nusselt number are also computed and analyzed. It is noticed that the flow accelerates for large values of Powell-Eyring fluid parameter. Further temperature profile decreases and concentration profile increases when Powell-Eyring fluid parameter enhances. Concentration distribution is decreasing function of homogeneous reaction parameter while opposite influence of heterogeneous reaction parameter appears. PMID:27280883

Magnetohydrodynamic Flow by a Stretching Cylinder with Newtonian Heating and Homogeneous-Heterogeneous Reactions.

PubMed

Hayat, T; Hussain, Zakir; Alsaedi, A; Farooq, M

2016-01-01

This article examines the effects of homogeneous-heterogeneous reactions and Newtonian heating in magnetohydrodynamic (MHD) flow of Powell-Eyring fluid by a stretching cylinder. The nonlinear partial differential equations of momentum, energy and concentration are reduced to the nonlinear ordinary differential equations. Convergent solutions of momentum, energy and reaction equations are developed by using homotopy analysis method (HAM). This method is very efficient for development of series solutions of highly nonlinear differential equations. It does not depend on any small or large parameter like the other methods i. e., perturbation method, δ-perturbation expansion method etc. We get more accurate result as we increase the order of approximations. Effects of different parameters on the velocity, temperature and concentration distributions are sketched and discussed. Comparison of present study with the previous published work is also made in the limiting sense. Numerical values of skin friction coefficient and Nusselt number are also computed and analyzed. It is noticed that the flow accelerates for large values of Powell-Eyring fluid parameter. Further temperature profile decreases and concentration profile increases when Powell-Eyring fluid parameter enhances. Concentration distribution is decreasing function of homogeneous reaction parameter while opposite influence of heterogeneous reaction parameter appears.

A perturbation-based balance training program for older adults: study protocol for a randomised controlled trial

PubMed Central

Mansfield, Avril; Peters, Amy L; Liu, Barbara A; Maki, Brian E

2007-01-01

Background Previous research investigating exercise as a means of falls prevention in older adults has shown mixed results. Lack of specificity of the intervention may be an important factor contributing to negative results. Change-in-support (CIS) balance reactions, which involve very rapid stepping or grasping movements of the limbs, play a critical role in preventing falls; hence, a training program that improves ability to execute effective CIS reactions could potentially have a profound effect in reducing risk of falling. This paper describes: 1) the development of a perturbation-based balance training program that targets specific previously-reported age-related impairments in CIS reactions, and 2) a study protocol to evaluate the efficacy of this new training program. Methods/Design The training program involves use of unpredictable, multi-directional moving-platform perturbations to evoke stepping and grasping reactions. Perturbation magnitude is gradually increased over the course of the 6-week program, and concurrent cognitive and movement tasks are included during later sessions. The program was developed in accordance with well-established principles of motor learning, such as individualisation, specificity, overload, adaptation-progression and variability. Specific goals are to reduce the frequency of multiple-step responses, reduce the frequency of collisions between the stepping foot and stance leg, and increase the speed of grasping reactions. A randomised control trial will be performed to evaluate the efficacy of the training program. A total of 30 community-dwelling older adults (age 64–80) with a recent history of instability or falling will be assigned to either the perturbation-based training or a control group (flexibility/relaxation training), using a stratified randomisation that controls for gender, age and baseline stepping/grasping performance. CIS reactions will be tested immediately before and after the six weeks of training, using platform perturbations as well as a distinctly different method of perturbation (waist pulls) in order to evaluate the generalisability of the training effects. Discussion This study will determine whether perturbation-based balance training can help to reverse specific age-related impairments in balance-recovery reactions. These results will help to guide the development of more effective falls prevention programs, which may ultimately lead to reduced health-care costs and enhanced mobility, independence and quality of life. PMID:17540020

Perturbation theory for cosmologies with nonlinear structure

NASA Astrophysics Data System (ADS)

Goldberg, Sophia R.; Gallagher, Christopher S.; Clifton, Timothy

2017-11-01

The next generation of cosmological surveys will operate over unprecedented scales, and will therefore provide exciting new opportunities for testing general relativity. The standard method for modelling the structures that these surveys will observe is to use cosmological perturbation theory for linear structures on horizon-sized scales, and Newtonian gravity for nonlinear structures on much smaller scales. We propose a two-parameter formalism that generalizes this approach, thereby allowing interactions between large and small scales to be studied in a self-consistent and well-defined way. This uses both post-Newtonian gravity and cosmological perturbation theory, and can be used to model realistic cosmological scenarios including matter, radiation and a cosmological constant. We find that the resulting field equations can be written as a hierarchical set of perturbation equations. At leading-order, these equations allow us to recover a standard set of Friedmann equations, as well as a Newton-Poisson equation for the inhomogeneous part of the Newtonian energy density in an expanding background. For the perturbations in the large-scale cosmology, however, we find that the field equations are sourced by both nonlinear and mode-mixing terms, due to the existence of small-scale structures. These extra terms should be expected to give rise to new gravitational effects, through the mixing of gravitational modes on small and large scales—effects that are beyond the scope of standard linear cosmological perturbation theory. We expect our formalism to be useful for accurately modeling gravitational physics in universes that contain nonlinear structures, and for investigating the effects of nonlinear gravity in the era of ultra-large-scale surveys.

Nonlinear ideal magnetohydrodynamics instabilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pfirsch, D.; Sudan, R.N.

1993-07-01

Explosive phenomena such as internal disruptions in toroidal discharges and solar flares are difficult to explain in terms of linear instabilities. A plasma approaching a linear stability limit can, however, become nonlinearly and explosively unstable, with noninfinitesimal perturbations even before the marginal state is reached. For such investigations, a nonlinear extension of the usual MHD (magnetohydrodynamic) energy principle is helpful. (This was obtained by Merkel and Schlueter, Sitzungsberichted. Bayer. Akad. Wiss., Munich, 1976, No. 7, for Cartesian coordinate systems.) A coordinate system independent Eulerian formulation for the Lagrangian allowing for equilibria with flow and with built-in conservation laws for mass,more » magnetic flux, and entropy is developed in this paper which is similar to Newcomb's Lagrangian method of 1962 [Nucl. Fusion, Suppl., Pt. II, 452 (1962)]. For static equilibria nonlinear stability is completely determined by the potential energy. For a potential energy which contains second- and [ital n]th order or some more general contributions only, it is shown in full generality that linearly unstable and marginally stable systems are explosively unstable even for infinitesimal perturbations; linearly absolutely stable systems require finite initial perturbations. For equilibria with Abelian symmetries symmetry breaking initial perturbations are needed, which should be observed in numerical simulations. Nonlinear stability is proved for two simple examples, [ital m]=0 perturbations of a Bennet Z-pinch and [ital z]-independent perturbations of a [theta] pinch. The algebra for treating these cases reduces considerably if symmetries are taken into account from the outset, as suggested by M. N. Rosenbluth (private communication, 1992).« less

Least Squares Moving-Window Spectral Analysis.

PubMed

Lee, Young Jong

2017-08-01

Least squares regression is proposed as a moving-windows method for analysis of a series of spectra acquired as a function of external perturbation. The least squares moving-window (LSMW) method can be considered an extended form of the Savitzky-Golay differentiation for nonuniform perturbation spacing. LSMW is characterized in terms of moving-window size, perturbation spacing type, and intensity noise. Simulation results from LSMW are compared with results from other numerical differentiation methods, such as single-interval differentiation, autocorrelation moving-window, and perturbation correlation moving-window methods. It is demonstrated that this simple LSMW method can be useful for quantitative analysis of nonuniformly spaced spectral data with high frequency noise.

Perturbation theory for BAO reconstructed fields: One-loop results in the real-space matter density field

NASA Astrophysics Data System (ADS)

Hikage, Chiaki; Koyama, Kazuya; Heavens, Alan

2017-08-01

We compute the power spectrum at one-loop order in standard perturbation theory for the matter density field to which a standard Lagrangian baryonic acoustic oscillation (BAO) reconstruction technique is applied. The BAO reconstruction method corrects the bulk motion associated with the gravitational evolution using the inverse Zel'dovich approximation (ZA) for the smoothed density field. We find that the overall amplitude of one-loop contributions in the matter power spectrum substantially decreases after reconstruction. The reconstructed power spectrum thereby approaches the initial linear spectrum when the smoothed density field is close enough to linear, i.e., the smoothing scale Rs≳10 h-1 Mpc . On smaller Rs, however, the deviation from the linear spectrum becomes significant on large scales (k ≲Rs-1 ) due to the nonlinearity in the smoothed density field, and the reconstruction is inaccurate. Compared with N-body simulations, we show that the reconstructed power spectrum at one-loop order agrees with simulations better than the unreconstructed power spectrum. We also calculate the tree-level bispectrum in standard perturbation theory to investigate non-Gaussianity in the reconstructed matter density field. We show that the amplitude of the bispectrum significantly decreases for small k after reconstruction and that the tree-level bispectrum agrees well with N-body results in the weakly nonlinear regime.

The global reference atmospheric model, mod 2 (with two scale perturbation model)

NASA Technical Reports Server (NTRS)

Justus, C. G.; Hargraves, W. R.

1976-01-01

The Global Reference Atmospheric Model was improved to produce more realistic simulations of vertical profiles of atmospheric parameters. A revised two scale random perturbation model using perturbation magnitudes which are adjusted to conform to constraints imposed by the perfect gas law and the hydrostatic condition is described. The two scale perturbation model produces appropriately correlated (horizontally and vertically) small scale and large scale perturbations. These stochastically simulated perturbations are representative of the magnitudes and wavelengths of perturbations produced by tides and planetary scale waves (large scale) and turbulence and gravity waves (small scale). Other new features of the model are: (1) a second order geostrophic wind relation for use at low latitudes which does not "blow up" at low latitudes as the ordinary geostrophic relation does; and (2) revised quasi-biennial amplitudes and phases and revised stationary perturbations, based on data through 1972.

Higgs boson gluon-fusion production in QCD at three loops.

PubMed

Anastasiou, Charalampos; Duhr, Claude; Dulat, Falko; Herzog, Franz; Mistlberger, Bernhard

2015-05-29

We present the cross section for the production of a Higgs boson at hadron colliders at next-to-next-to-next-to-leading order (N^{3}LO) in perturbative QCD. The calculation is based on a method to perform a series expansion of the partonic cross section around the threshold limit to an arbitrary order. We perform this expansion to sufficiently high order to obtain the value of the hadronic cross at N^{3}LO in the large top-mass limit. For renormalization and factorization scales equal to half the Higgs boson mass, the N^{3}LO corrections are of the order of +2.2%. The total scale variation at N^{3}LO is 3%, reducing the uncertainty due to missing higher order QCD corrections by a factor of 3.

Investigation of Bose-Einstein Condensates in q-Deformed Potentials with First Order Perturbation Theory

NASA Astrophysics Data System (ADS)

Nutku, Ferhat; Aydıner, Ekrem

2018-02-01

The Gross-Pitaevskii equation, which is the governor equation of Bose-Einstein condensates, is solved by first order perturbation expansion under various q-deformed potentials. Stationary probability distributions reveal one and two soliton behavior depending on the type of the q-deformed potential. Additionally a spatial shift of the probability distribution is found for the dark soliton solution, when the q parameter is changed.

Predictive Sampling of Rare Conformational Events in Aqueous Solution: Designing a Generalized Orthogonal Space Tempering Method.

PubMed

Lu, Chao; Li, Xubin; Wu, Dongsheng; Zheng, Lianqing; Yang, Wei

2016-01-12

In aqueous solution, solute conformational transitions are governed by intimate interplays of the fluctuations of solute-solute, solute-water, and water-water interactions. To promote molecular fluctuations to enhance sampling of essential conformational changes, a common strategy is to construct an expanded Hamiltonian through a series of Hamiltonian perturbations and thereby broaden the distribution of certain interactions of focus. Due to a lack of active sampling of configuration response to Hamiltonian transitions, it is challenging for common expanded Hamiltonian methods to robustly explore solvent mediated rare conformational events. The orthogonal space sampling (OSS) scheme, as exemplified by the orthogonal space random walk and orthogonal space tempering methods, provides a general framework for synchronous acceleration of slow configuration responses. To more effectively sample conformational transitions in aqueous solution, in this work, we devised a generalized orthogonal space tempering (gOST) algorithm. Specifically, in the Hamiltonian perturbation part, a solvent-accessible-surface-area-dependent term is introduced to implicitly perturb near-solute water-water fluctuations; more importantly in the orthogonal space response part, the generalized force order parameter is generalized as a two-dimension order parameter set, in which essential solute-solvent and solute-solute components are separately treated. The gOST algorithm is evaluated through a molecular dynamics simulation study on the explicitly solvated deca-alanine (Ala10) peptide. On the basis of a fully automated sampling protocol, the gOST simulation enabled repetitive folding and unfolding of the solvated peptide within a single continuous trajectory and allowed for detailed constructions of Ala10 folding/unfolding free energy surfaces. The gOST result reveals that solvent cooperative fluctuations play a pivotal role in Ala10 folding/unfolding transitions. In addition, our assessment analysis suggests that because essential conformational events are mainly driven by the compensating fluctuations of essential solute-solvent and solute-solute interactions, commonly employed "predictive" sampling methods are unlikely to be effective on this seemingly "simple" system. The gOST development presented in this paper illustrates how to employ the OSS scheme for physics-based sampling method designs.

A hybrid perturbation-Galerkin technique for partial differential equations

NASA Technical Reports Server (NTRS)

Geer, James F.; Anderson, Carl M.

1990-01-01

A two-step hybrid perturbation-Galerkin technique for improving the usefulness of perturbation solutions to partial differential equations which contain a parameter is presented and discussed. In the first step of the method, the leading terms in the asymptotic expansion(s) of the solution about one or more values of the perturbation parameter are obtained using standard perturbation methods. In the second step, the perturbation functions obtained in the first step are used as trial functions in a Bubnov-Galerkin approximation. This semi-analytical, semi-numerical hybrid technique appears to overcome some of the drawbacks of the perturbation and Galerkin methods when they are applied by themselves, while combining some of the good features of each. The technique is illustrated first by a simple example. It is then applied to the problem of determining the flow of a slightly compressible fluid past a circular cylinder and to the problem of determining the shape of a free surface due to a sink above the surface. Solutions obtained by the hybrid method are compared with other approximate solutions, and its possible application to certain problems associated with domain decomposition is discussed.

Ionospheric perturbations due to earthquakes as determined from VLF and GPS-TEC data analysis at Agra, India

NASA Astrophysics Data System (ADS)

Singh, Dhananjali; Singh, Birbal; Pundhir, Devbrat

2018-04-01

Employing SoftPAL receiver, amplitude variations of VLF transmitter signals NWC (19.8 kHz) and NPM (21.4 kHz) are analyzed at Agra station in India (Geograph. lat. 27.2°N, long. 78°E) ±15 days from five major earthquakes of magnitude M = 6.9-8.5 occurred in Indian subcontinent during the years 2011-2013. We apply nighttime fluctuation (NF) method and show that in almost all cases the trend decreases and dispersion and NF increase on the same days corresponding to each earthquake about 11-15 days prior to the main shock. Assuming that the ionospheric perturbations are caused by atmospheric gravity waves (AGW), we also calculate AGW modulation index for each case and find its values increased on the days amplitude fluctuations take place. Its value is decreased in one case only where the perturbations may be attributed to penetration of seismogenic electric field. In order to support the above results we also present GPS-TEC data analyzed by us corresponding to three of the above earthquakes. We study the TEC anomalies (unusual enhancements) and find that in one case the precursory period is almost the same as that found in NF method.

Probing fast ribozyme reactions under biological conditions with rapid quench-flow kinetics.

PubMed

Bingaman, Jamie L; Messina, Kyle J; Bevilacqua, Philip C

2017-05-01

Reaction kinetics on the millisecond timescale pervade the protein and RNA fields. To study such reactions, investigators often perturb the system with abiological solution conditions or substrates in order to slow the rate to timescales accessible by hand mixing; however, such perturbations can change the rate-limiting step and obscure key folding and chemical steps that are found under biological conditions. Mechanical methods for collecting data on the millisecond timescale, which allow these perturbations to be avoided, have been developed over the last few decades. These methods are relatively simple and can be conducted on affordable and commercially available instruments. Here, we focus on using the rapid quench-flow technique to study the fast reaction kinetics of RNA enzymes, or ribozymes, which often react on the millisecond timescale under biological conditions. Rapid quench of ribozymes is completely parallel to the familiar hand-mixing approach, including the use of radiolabeled RNAs and fractionation of reactions on polyacrylamide gels. We provide tips on addressing and preventing common problems that can arise with the rapid-quench technique. Guidance is also offered on ensuring the ribozyme is properly folded and fast-reacting. We hope that this article will facilitate the broader use of rapid-quench instrumentation to study fast-reacting ribozymes under biological reaction conditions. Copyright © 2017 Elsevier Inc. All rights reserved.

Probing fast ribozyme reactions under biological conditions with rapid quench-flow kinetics

PubMed Central

Bingaman, Jamie L.; Messina, Kyle J.; Bevilacqua, Philip C.

2017-01-01

Reaction kinetics on the millisecond timescale pervade the protein and RNA fields. To study such reactions, investigators often perturb the system with abiological solution conditions or substrates in order to slow the rate to timescales accessible by hand-mixing; however, such perturbations can change the rate-limiting step and obscure key folding and chemical steps that are found under biological conditions. Mechanical methods for collecting data on the millisecond timescale, which allow these perturbations to be avoided, have been developed over the last few decades. These methods are relatively simple and can be conducted on affordable and commercially available instruments. Here, we focus on using the rapid quench-flow technique to study the fast reaction kinetics of RNA enzymes, or ribozymes, which often react on the millisecond timescale under biological conditions. Rapid quench of ribozymes is completely parallel to the familiar hand-mixing approach, including the use of radiolabeled RNAs and fractionation of reactions on polyacrylamide gels. We provide tips on addressing and preventing common problems that can arise with the rapid-quench technique. Guidance is also offered on ensuring the ribozyme is properly folded and fast-reacting. We hope that this article will facilitate the broader use of rapid-quench instrumentation to study fast-reacting ribozymes under biological reaction conditions. PMID:28315484

Inner Space Perturbation Theory in Matrix Product States: Replacing Expensive Iterative Diagonalization.

PubMed

Ren, Jiajun; Yi, Yuanping; Shuai, Zhigang

2016-10-11

We propose an inner space perturbation theory (isPT) to replace the expensive iterative diagonalization in the standard density matrix renormalization group theory (DMRG). The retained reduced density matrix eigenstates are partitioned into the active and secondary space. The first-order wave function and the second- and third-order energies are easily computed by using one step Davidson iteration. Our formulation has several advantages including (i) keeping a balance between the efficiency and accuracy, (ii) capturing more entanglement with the same amount of computational time, (iii) recovery of the standard DMRG when all the basis states belong to the active space. Numerical examples for the polyacenes and periacene show that the efficiency gain is considerable and the accuracy loss due to the perturbation treatment is very small, when half of the total basis states belong to the active space. Moreover, the perturbation calculations converge in all our numerical examples.

Dynamics of weakly inhomogeneous oscillator populations: perturbation theory on top of Watanabe-Strogatz integrability

NASA Astrophysics Data System (ADS)

Vlasov, Vladimir; Rosenblum, Michael; Pikovsky, Arkady

2016-08-01

As has been shown by Watanabe and Strogatz (WS) (1993 Phys. Rev. Lett. 70 2391), a population of identical phase oscillators, sine-coupled to a common field, is a partially integrable system: for any ensemble size its dynamics reduce to equations for three collective variables. Here we develop a perturbation approach for weakly nonidentical ensembles. We calculate corrections to the WS dynamics for two types of perturbations: those due to a distribution of natural frequencies and of forcing terms, and those due to small white noise. We demonstrate that in both cases, the complex mean field for which the dynamical equations are written is close to the Kuramoto order parameter, up to the leading order in the perturbation. This supports the validity of the dynamical reduction suggested by Ott and Antonsen (2008 Chaos 18 037113) for weakly inhomogeneous populations.

Primordial power spectra for scalar perturbations in loop quantum cosmology

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Blas, Daniel Martín; Olmedo, Javier, E-mail: d.martindeblas@uandresbello.edu, E-mail: jolmedo@lsu.edu

We provide the power spectrum of small scalar perturbations propagating in an inflationary scenario within loop quantum cosmology. We consider the hybrid quantization approach applied to a Friedmann-Robertson-Walker spacetime with flat spatial sections coupled to a massive scalar field. We study the quantum dynamics of scalar perturbations on an effective background within this hybrid approach. We consider in our study adiabatic states of different orders. For them, we find that the hybrid quantization is in good agreement with the predictions of the dressed metric approach. We also propose an initial vacuum state for the perturbations, and compute the primordial andmore » the anisotropy power spectrum in order to qualitatively compare with the current observations of Planck mission. We find that our vacuum state is in good agreement with them, showing a suppression of the power spectrum for large scale anisotropies. We compare with other choices already studied in the literature.« less

Vibrational quasi-degenerate perturbation theory with optimized coordinates: Applications to ethylene and trans-1,3-butadiene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yagi, Kiyoshi, E-mail: kiyoshi.yagi@riken.jp; Otaki, Hiroki

A perturbative extension to optimized coordinate vibrational self-consistent field (oc-VSCF) is proposed based on the quasi-degenerate perturbation theory (QDPT). A scheme to construct the degenerate space (P space) is developed, which incorporates degenerate configurations and alleviates the divergence of perturbative expansion due to localized coordinates in oc-VSCF (e.g., local O–H stretching modes of water). An efficient configuration selection scheme is also implemented, which screens out the Hamiltonian matrix element between the P space configuration (p) and the complementary Q space configuration (q) based on a difference in their quantum numbers (λ{sub pq} = ∑{sub s}|p{sub s} − q{sub s}|). Itmore » is demonstrated that the second-order vibrational QDPT based on optimized coordinates (oc-VQDPT2) smoothly converges with respect to the order of the mode coupling, and outperforms the conventional one based on normal coordinates. Furthermore, an improved, fast algorithm is developed for optimizing the coordinates. First, the minimization of the VSCF energy is conducted in a restricted parameter space, in which only a portion of pairs of coordinates is selectively transformed. A rational index is devised for this purpose, which identifies the important coordinate pairs to mix from others that may remain unchanged based on the magnitude of harmonic coupling induced by the transformation. Second, a cubic force field (CFF) is employed in place of a quartic force field, which bypasses intensive procedures that arise due to the presence of the fourth-order force constants. It is found that oc-VSCF based on CFF together with the pair selection scheme yields the coordinates similar in character to the conventional ones such that the final vibrational energy is affected very little while gaining an order of magnitude acceleration. The proposed method is applied to ethylene and trans-1,3-butadiene. An accurate, multi-resolution potential, which combines the MP2 and coupled-cluster with singles, doubles, and perturbative triples level of electronic structure theory, is generated and employed in the oc-VQDPT2 calculation to obtain the fundamental tones as well as selected overtones/combination tones coupled to the fundamentals through the Fermi resonance. The calculated frequencies of ethylene and trans-1,3-butadiene are found to be in excellent agreement with the experimental values with a mean absolute error of 8 and 9 cm{sup −1}, respectively.« less

Nonlinear structure formation in flat cosmological models

NASA Technical Reports Server (NTRS)

Martel, Hugo

1995-01-01

This paper describes the formation of nonlinear structure in flat (zero curvature) Friedmann cosmological models. We consider models with two components: the usual nonrelativistic component that evolves under gravity and eventually forms the large-scale structure of the universe, and a uniform dark matter component that does not clump under gravity, and whose energy density varies with the scale factor a(t) like a(t)(sup -n), where n is a free parameter. Each model is characterized by two parameters: the exponent n and the present density parameter Omega(sub 0) of the nonrelativistic component. The linear perturbation equations are derived and solved for these models, for the three different cases n = 3, n is greater than 3, and n is less than 3. The case n = 3 is relevant to model with massive neutrinos. The presence of the uniform component strongly reduces the growth of the perturbation compared with the Einstein-de Sitter model. We show that the Meszaros effect (suppression of growth at high redshift) holds not only for n = 4, radiation-dominated models, but for all models with n is greater than 3. This essentially rules out any such model. For the case n is less than 3, we numerically integrate the perturbation equations from the big bang to the present, for 620 different models with various values of Omega(sub 0) and n. Using these solutions, we show that the function f(Omega(sub 0), n) = (a/delta(sub +))d(delta)(sub +)/da, which enters in the relationship between the present density contrast delta(sub 0) and peculiar velocity field u(sub 0) is essentially independent of n. We derive approximate solutions for the second-order perturbation equations. These second-order solutions are tested against the exact solutions and the Zel'dovich approximation for spherically symmetric perturbations in the marginally nonlinear regime (the absolute value of delta is less than or approximately 1). The second-order and Zel'dovich solutions have comparable accuracy, significantly higher than the accuracy of the linear solutions. We then investigate the dependence of the delta(sub 0) - u(sub 0) relationship upon the value of n in the nonlinear regime using the second-order solutions for marginally nonlinear, general perturbations, and the exact solutions for strongly nonlinear, spherically symmetric perturbations. In both cases, we find that the delta(sub 0) - u(sub 0) relationship remains independent of n. We speculate that this result extends to strongly nonlinear, general perturbations as well. This eliminates any hope to determine the presence of the uniform component or the value of n using dynamical methods. Finally, we compute the nonlinear evolution of the skewness of the distribution of values of delta, assuming Gaussian initial conditions. We find that the skewness is not only independent of n, but also of Omega(sub 0). Thus the skewness cannot be used to discriminate among various models with Gaussian initial conditions. However, it can be used for testing the Gaussianity of the initial conditions themselves. We conclude that the uniform component leaves no observable signature in the present large-scale structure of the universe. To determine its presence and nature, we must investigate the relationship between the past and present universe, using redshift-dependent tests.

Nonlinear Analytical Modeling of Interfacial Phenomenon and Nano-Size Microstructural Features to Better Correlate Nde Electronic Property Measurements to Material State

NASA Astrophysics Data System (ADS)

Roubidoux, J. A.; Jackson, J. E.; Lasseigne, A. N.; Mishra, B.; Olson, D. L.

2010-02-01

This paper correlates nonlinear material properties to nondestructive electronic measurements by using wave analysis techniques (e.g. Perturbation Methods) and incorporating higher-order phenomena. The correlations suggest that nondestructive electronic property measurements and practices can be used to assess thin films, surface layers, and other advanced materials that exhibit modified behaviors based on their space-charged interfacial behavior.

Proof of factorization using background field method of QCD

NASA Astrophysics Data System (ADS)

Nayak, Gouranga C.

2010-02-01

Factorization theorem plays the central role at high energy colliders to study standard model and beyond standard model physics. The proof of factorization theorem is given by Collins, Soper and Sterman to all orders in perturbation theory by using diagrammatic approach. One might wonder if one can obtain the proof of factorization theorem through symmetry considerations at the lagrangian level. In this paper we provide such a proof.

Proof of factorization using background field method of QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nayak, Gouranga C.

Factorization theorem plays the central role at high energy colliders to study standard model and beyond standard model physics. The proof of factorization theorem is given by Collins, Soper and Sterman to all orders in perturbation theory by using diagrammatic approach. One might wonder if one can obtain the proof of factorization theorem through symmetry considerations at the lagrangian level. In this paper we provide such a proof.

Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn-Sham approach for calculation of dipole-quadrupole polarizability

NASA Astrophysics Data System (ADS)

Shedge, Sapana V.; Pal, Sourav; Köster, Andreas M.

2011-07-01

Recently, two non-iterative approaches have been proposed to calculate response properties within density functional theory (DFT). These approaches are auxiliary density perturbation theory (ADPT) and the non-iterative approach to the coupled-perturbed Kohn-Sham (NIA-CPKS) method. Though both methods are non-iterative, they use different techniques to obtain the perturbed Kohn-Sham matrix. In this Letter, for the first time, both of these two independent methods have been used for the calculation of dipole-quadrupole polarizabilities. To validate these methods, three tetrahedral molecules viz., P4,CH4 and adamantane (C10H16) have been used as examples. The comparison with MP2 and CCSD proves the reliability of the methodology.

Modified Chapman-Enskog moment approach to diffusive phonon heat transport.

PubMed

Banach, Zbigniew; Larecki, Wieslaw

2008-12-01

A detailed treatment of the Chapman-Enskog method for a phonon gas is given within the framework of an infinite system of moment equations obtained from Callaway's model of the Boltzmann-Peierls equation. Introducing no limitations on the magnitudes of the individual components of the drift velocity or the heat flux, this method is used to derive various systems of hydrodynamic equations for the energy density and the drift velocity. For one-dimensional flow problems, assuming that normal processes dominate over resistive ones, it is found that the first three levels of the expansion (i.e., the zeroth-, first-, and second-order approximations) yield the equations of hydrodynamics which are linearly stable at all wavelengths. This result can be achieved either by examining the dispersion relations for linear plane waves or by constructing the explicit quadratic Lyapunov entropy functionals for the linear perturbation equations. The next order in the Chapman-Enskog expansion leads to equations which are unstable to some perturbations. Precisely speaking, the linearized equations of motion that describe the propagation of small disturbances in the flow have unstable plane-wave solutions in the short-wavelength limit of the dispersion relations. This poses no problem if the equations are used in their proper range of validity.

Consistent use of the standard model effective potential.

PubMed

Andreassen, Anders; Frost, William; Schwartz, Matthew D

2014-12-12

The stability of the standard model is determined by the true minimum of the effective Higgs potential. We show that the potential at its minimum when computed by the traditional method is strongly dependent on the gauge parameter. It moreover depends on the scale where the potential is calculated. We provide a consistent method for determining absolute stability independent of both gauge and calculation scale, order by order in perturbation theory. This leads to a revised stability bounds m(h)(pole)>(129.4±2.3)  GeV and m(t)(pole)<(171.2±0.3)  GeV. We also show how to evaluate the effect of new physics on the stability bound without resorting to unphysical field values.

Hamilton-Jacobi modelling of relative motion for formation flying.

PubMed

Kolemen, Egemen; Kasdin, N Jeremy; Gurfil, Pini

2005-12-01

A precise analytic model for the relative motion of a group of satellites in slightly elliptic orbits is introduced. With this aim, we describe the relative motion of an object relative to a circular or slightly elliptic reference orbit in the rotating Hill frame via a low-order Hamiltonian, and solve the Hamilton-Jacobi equation. This results in a first-order solution to the relative motion identical to the Clohessy-Wiltshire approach; here, however, rather than using initial conditions as our constants of the motion, we utilize the canonical momenta and coordinates. This allows us to treat perturbations in an identical manner, as in the classical Delaunay formulation of the two-body problem. A precise analytical model for the base orbit is chosen with the included effect of zonal harmonics (J(2), J(3), J(4)). A Hamiltonian describing the real relative motion is formed and by differing this from the nominal Hamiltonian, the perturbing Hamiltonian is obtained. Using the Hamilton equations, the variational equations for the new constants are found. In a manner analogous to the center manifold reduction procedure, the non-periodic part of the motion is canceled through a magnitude analysis leading to simple boundedness conditions that cancel the drift terms due to the higher order perturbations. Using this condition, the variational equations are integrated to give periodic solutions that closely approximate the results from numerical integration (1 mm/per orbit for higher order and eccentricity perturbations and 30 cm/per orbit for zonal perturbations). This procedure provides a compact and insightful analytic description of the resulting relative motion.

Inverse scattering theory: Inverse scattering series method for one dimensional non-compact support potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yao, Jie, E-mail: yjie2@uh.edu; Lesage, Anne-Cécile; Hussain, Fazle

2014-12-15

The reversion of the Born-Neumann series of the Lippmann-Schwinger equation is one of the standard ways to solve the inverse acoustic scattering problem. One limitation of the current inversion methods based on the reversion of the Born-Neumann series is that the velocity potential should have compact support. However, this assumption cannot be satisfied in certain cases, especially in seismic inversion. Based on the idea of distorted wave scattering, we explore an inverse scattering method for velocity potentials without compact support. The strategy is to decompose the actual medium as a known single interface reference medium, which has the same asymptoticmore » form as the actual medium and a perturbative scattering potential with compact support. After introducing the method to calculate the Green’s function for the known reference potential, the inverse scattering series and Volterra inverse scattering series are derived for the perturbative potential. Analytical and numerical examples demonstrate the feasibility and effectiveness of this method. Besides, to ensure stability of the numerical computation, the Lanczos averaging method is employed as a filter to reduce the Gibbs oscillations for the truncated discrete inverse Fourier transform of each order. Our method provides a rigorous mathematical framework for inverse acoustic scattering with a non-compact support velocity potential.« less

Higher order explicit symmetric integrators for inseparable forms of coordinates and momenta

NASA Astrophysics Data System (ADS)

Liu, Lei; Wu, Xin; Huang, Guoqing; Liu, Fuyao

2016-06-01

Pihajoki proposed the extended phase-space second-order explicit symmetric leapfrog methods for inseparable Hamiltonian systems. On the basis of this work, we survey a critical problem on how to mix the variables in the extended phase space. Numerical tests show that sequent permutations of coordinates and momenta can make the leapfrog-like methods yield the most accurate results and the optimal long-term stabilized error behaviour. We also present a novel method to construct many fourth-order extended phase-space explicit symmetric integration schemes. Each scheme represents the symmetric production of six usual second-order leapfrogs without any permutations. This construction consists of four segments: the permuted coordinates, triple product of the usual second-order leapfrog without permutations, the permuted momenta and the triple product of the usual second-order leapfrog without permutations. Similarly, extended phase-space sixth, eighth and other higher order explicit symmetric algorithms are available. We used several inseparable Hamiltonian examples, such as the post-Newtonian approach of non-spinning compact binaries, to show that one of the proposed fourth-order methods is more efficient than the existing methods; examples include the fourth-order explicit symplectic integrators of Chin and the fourth-order explicit and implicit mixed symplectic integrators of Zhong et al. Given a moderate choice for the related mixing and projection maps, the extended phase-space explicit symplectic-like methods are well suited for various inseparable Hamiltonian problems. Samples of these problems involve the algorithmic regularization of gravitational systems with velocity-dependent perturbations in the Solar system and post-Newtonian Hamiltonian formulations of spinning compact objects.

Dissipative exciton transfer in donor-bridge-acceptor systems: numerical renormalization group calculation of equilibrium properties.

PubMed

Tornow, Sabine; Tong, Ning-Hua; Bulla, Ralf

2006-07-05

We present a detailed model study of exciton transfer processes in donor-bridge-acceptor (DBA) systems. Using a model which includes the intermolecular Coulomb interaction and the coupling to a dissipative environment we calculate the phase diagram, the absorption spectrum as well as dynamic equilibrium properties with the numerical renormalization group. This method is non-perturbative and therefore allows one to cover the full parameter space, especially the case when the intermolecular Coulomb interaction is of the same order as the coupling to the environment and perturbation theory cannot be applied. For DBA systems with up to six sites we found a transition to the localized phase (self-trapping) depending on the coupling to the dissipative environment. We discuss various criteria which favour delocalized exciton transfer.

Calculation of (P,T) -odd electric dipole moments for the diamagnetic atoms X129e , Y171b , H199g , R211n , and R225a

NASA Astrophysics Data System (ADS)

Dzuba, V. A.; Flambaum, V. V.; Porsev, S. G.

2009-09-01

Electric dipole moments of diamagnetic atoms of experimental interest are calculated using the relativistic Hartree-Fock and random-phase approximation methods, the many-body perturbation theory, and the configuration-interaction technique. We consider (P,T) -odd interactions, which give rise to atomic electric dipole moment in the second order of the perturbation theory. These include nuclear Schiff moment, (P,T) -odd electron-nucleon interaction, and electron electric dipole moment. Interpretation of an experimental constraint of a permanent electric dipole moment of H199g [W. C. Griffith, M. D. Swallows, T. H. Loftus, M. V. Romalis, B. R. Heckel, and E. N. Fortson, Phys. Rev. Lett. 102, 101601 (2009)] is discussed.

Møller-Plesset perturbation energies and distances for HeC(20) extrapolated to the complete basis set limit.

PubMed

Varandas, A J C

2009-02-01

The potential energy surface for the C(20)-He interaction is extrapolated for three representative cuts to the complete basis set limit using second-order Møller-Plesset perturbation calculations with correlation consistent basis sets up to the doubly augmented variety. The results both with and without counterpoise correction show consistency with each other, supporting that extrapolation without such a correction provides a reliable scheme to elude the basis-set-superposition error. Converged attributes are obtained for the C(20)-He interaction, which are used to predict the fullerene dimer ones. Time requirements show that the method can be drastically more economical than the counterpoise procedure and even competitive with Kohn-Sham density functional theory for the title system.

Optimal control of singularly perturbed nonlinear systems with state-variable inequality constraints

NASA Technical Reports Server (NTRS)

Calise, A. J.; Corban, J. E.

1990-01-01

The established necessary conditions for optimality in nonlinear control problems that involve state-variable inequality constraints are applied to a class of singularly perturbed systems. The distinguishing feature of this class of two-time-scale systems is a transformation of the state-variable inequality constraint, present in the full order problem, to a constraint involving states and controls in the reduced problem. It is shown that, when a state constraint is active in the reduced problem, the boundary layer problem can be of finite time in the stretched time variable. Thus, the usual requirement for asymptotic stability of the boundary layer system is not applicable, and cannot be used to construct approximate boundary layer solutions. Several alternative solution methods are explored and illustrated with simple examples.

Flap-lag-torsional dynamics of helicopter rotor blades in forward flight

NASA Technical Reports Server (NTRS)

Crespodasilva, M. R. M.

1986-01-01

A perturbation/numerical methodology to analyze the flap-lead/lag motion of a centrally hinged spring restrained rotor blade that is valid for both hover and for forward flight was developed. The derivation of the nonlinear differential equations of motion and the analysis of the stability of the steady state response of the blade were conducted entirely in a Symbolics 3670 Machine using MACSYMA to perform all the lengthy symbolic manipulations. It also includes generation of the fortran codes and plots of the results. The Floquet theory was also applied to the differential equations of motion in order to compare results with those obtained from the perturbation analysis. The results obtained from the perturbation methodology and from Floquet theory were found to be very close to each other, which demonstrates the usefullness of the perturbation methodology. Another problem under study consisted in the analysis of the influence of higher order terms in the response and stability of a flexible rotor blade in forward flight using Computerized Symbolic Manipulation and a perturbation technique to bypass the Floquet theory. The derivation of the partial differential equations of motion is presented.

Refined Weyl Law for Homogeneous Perturbations of the Harmonic Oscillator

NASA Astrophysics Data System (ADS)

Doll, Moritz; Gannot, Oran; Wunsch, Jared

2018-02-01

Let H denote the harmonic oscillator Hamiltonian on R}^d,} perturbed by an isotropic pseudodifferential operator of order 1. We consider the Schrödinger propagator {U(t)=e^{-itH},} and find that while sing-supp Tr U(t) \\subset 2 π Z as in the unperturbed case, there exists a large class of perturbations in dimensions {d ≥ 2 for which the singularities of {Tr U(t)} at nonzero multiples of {2 π} are weaker than the singularity at t = 0. The remainder term in the Weyl law is of order {o(λ^{d-1})} , improving in these cases the {o(λ^{d-1})} remainder previously established by Helffer-Robert.

Travelling-wave solutions of a weakly nonlinear two-dimensional higher-order Kadomtsev-Petviashvili dynamical equation for dispersive shallow-water waves

NASA Astrophysics Data System (ADS)

Seadawy, Aly R.

2017-01-01

The propagation of three-dimensional nonlinear irrotational flow of an inviscid and incompressible fluid of the long waves in dispersive shallow-water approximation is analyzed. The problem formulation of the long waves in dispersive shallow-water approximation lead to fifth-order Kadomtsev-Petviashvili (KP) dynamical equation by applying the reductive perturbation theory. By using an extended auxiliary equation method, the solitary travelling-wave solutions of the two-dimensional nonlinear fifth-order KP dynamical equation are derived. An analytical as well as a numerical solution of the two-dimensional nonlinear KP equation are obtained and analyzed with the effects of external pressure flow.

Multiple and exact soliton solutions of the perturbed Korteweg-de Vries equation of long surface waves in a convective fluid via Painlevé analysis, factorization, and simplest equation methods.

PubMed

Selima, Ehab S; Yao, Xiaohua; Wazwaz, Abdul-Majid

2017-06-01

In this research, the surface waves of a horizontal fluid layer open to air under gravity field and vertical temperature gradient effects are studied. The governing equations of this model are reformulated and converted to a nonlinear evolution equation, the perturbed Korteweg-de Vries (pKdV) equation. We investigate the latter equation, which includes dispersion, diffusion, and instability effects, in order to examine the evolution of long surface waves in a convective fluid. Dispersion relation of the pKdV equation and its properties are discussed. The Painlevé analysis is applied not only to check the integrability of the pKdV equation but also to establish the Bäcklund transformation form. In addition, traveling wave solutions and a general form of the multiple-soliton solutions of the pKdV equation are obtained via Bäcklund transformation, the simplest equation method using Bernoulli, Riccati, and Burgers' equations as simplest equations, and the factorization method.

Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy.

PubMed

Provazza, Justin; Segatta, Francesco; Garavelli, Marco; Coker, David F

2018-02-13

Computation of nonlinear optical response functions allows for an in-depth connection between theory and experiment. Experimentally recorded spectra provide a high density of information, but to objectively disentangle overlapping signals and to reach a detailed and reliable understanding of the system dynamics, measurements must be integrated with theoretical approaches. Here, we present a new, highly accurate and efficient trajectory-based semiclassical path integral method for computing higher order nonlinear optical response functions for non-Markovian open quantum systems. The approach is, in principle, applicable to general Hamiltonians and does not require any restrictions on the form of the intrasystem or system-bath couplings. This method is systematically improvable and is shown to be valid in parameter regimes where perturbation theory-based methods qualitatively breakdown. As a test of the methodology presented here, we study a system-bath model for a coupled dimer for which we compare against numerically exact results and standard approximate perturbation theory-based calculations. Additionally, we study a monomer with discrete vibronic states that serves as the starting point for future investigation of vibronic signatures in nonlinear electronic spectroscopy.

Oscillations and Rolling for Duffing's Equation

NASA Astrophysics Data System (ADS)

Aref'eva, I. Ya.; Piskovskiy, E. V.; Volovich, I. V.

2013-01-01

The Duffing equation has been used to model nonlinear dynamics not only in mechanics and electronics but also in biology and in neurology for the brain process modeling. Van der Pol's method is often used in nonlinear dynamics to improve perturbation theory results when describing small oscillations. However, in some other problems of nonlinear dynamics particularly in case of Duffing-Higgs equation in field theory, for the Einsten-Friedmann equations in cosmology and for relaxation processes in neurology not only small oscillations regime is of interest but also the regime of slow rolling. In the present work a method for approximate solution to nonlinear dynamics equations in the rolling regime is developed. It is shown that in order to improve perturbation theory in the rolling regime it turns out to be effective to use an expansion in hyperbolic functions instead of trigonometric functions as it is done in van der Pol's method in case of small oscillations. In particular the Duffing equation in the rolling regime is investigated using solution expressed in terms of elliptic functions. Accuracy of obtained approximation is estimated. The Duffing equation with dissipation is also considered.

Dark solitons in the presence of higher-order effects.

PubMed

Horikis, Theodoros P; Frantzeskakis, Dimitrios J

2013-12-01

Dark soliton propagation is studied in the presence of higher-order effects, including third-order dispersion, self-steepening, linear/nonlinear gain/loss, and Raman scattering. It is found that for certain values of the parameters a stable evolution can exist for both the soliton and the relative continuous-wave background. Using a newly developed perturbation theory we show that the perturbing effects give rise to a shelf that accompanies the soliton in its propagation. Although, the stable solitons are not affected by the shelf it remains an integral part of the dynamics otherwise not considered so far in studies of higher-order nonlinear Schrödinger models.

Entanglement entropy with a time-dependent Hamiltonian

NASA Astrophysics Data System (ADS)

Sivaramakrishnan, Allic

2018-03-01

The time evolution of entanglement tracks how information propagates in interacting quantum systems. We study entanglement entropy in CFT2 with a time-dependent Hamiltonian. We perturb by operators with time-dependent source functions and use the replica trick to calculate higher-order corrections to entanglement entropy. At first order, we compute the correction due to a metric perturbation in AdS3/CFT2 and find agreement on both sides of the duality. Past first order, we find evidence of a universal structure of entanglement propagation to all orders. The central feature is that interactions entangle unentangled excitations. Entanglement propagates according to "entanglement diagrams," proposed structures that are motivated by accessory spacetime diagrams for real-time perturbation theory. To illustrate the mechanisms involved, we compute higher-order corrections to free fermion entanglement entropy. We identify an unentangled operator, one which does not change the entanglement entropy to any order. Then, we introduce an interaction and find it changes entanglement entropy by entangling the unentangled excitations. The entanglement propagates in line with our conjecture. We compute several entanglement diagrams. We provide tools to simplify the computation of loop entanglement diagrams, which probe UV effects in entanglement propagation in CFT and holography.

Relativistic Positioning Systems and Gravitational Perturbations

NASA Astrophysics Data System (ADS)

Gomboc, Andreja; Kostić, Uroš; Horvat, Martin; Carloni, Sante; Delva, Pacôme

2013-11-01

In order to deliver a high accuracy relativistic positioning system, several gravitational perturbations need to be taken into account. We therefore consider a system of satellites, such as the Galileo system, in a space-time described by a background Schwarzschild metric and small gravitational perturbations due to the Earth’s rotation, multipoles and tides, and the gravity of the Moon, the Sun, and planets. We present the status of this work currently carried out in the ESA Slovenian PECS project Relativistic Global Navigation System, give the explicit expressions for the perturbed metric, and briefly outline further steps.

Roles of dark energy perturbations in dynamical dark energy models: can we ignore them?

PubMed

Park, Chan-Gyung; Hwang, Jai-chan; Lee, Jae-heon; Noh, Hyerim

2009-10-09

We show the importance of properly including the perturbations of the dark energy component in the dynamical dark energy models based on a scalar field and modified gravity theories in order to meet with present and future observational precisions. Based on a simple scaling scalar field dark energy model, we show that observationally distinguishable substantial differences appear by ignoring the dark energy perturbation. By ignoring it the perturbed system of equations becomes inconsistent and deviations in (gauge-invariant) power spectra depend on the gauge choice.

Distributed feedback acoustic surface wave oscillator

NASA Technical Reports Server (NTRS)

Elachi, C. (Inventor)

1977-01-01

An acoustic surface wave oscillator is constructed from a semiconductor piezoelectric acoustic surface wave amplifier by providing appropriate perturbations at the piezoelectric boundary. The perturbations cause Bragg order reflections that maintain acoustic wave oscillation under certain conditions of gain and feedback.

A new method to compute lunisolar perturbations in satellite motions

NASA Technical Reports Server (NTRS)

Kozai, Y.

1973-01-01

A new method to compute lunisolar perturbations in satellite motion is proposed. The disturbing function is expressed by the orbital elements of the satellite and the geocentric polar coordinates of the moon and the sun. The secular and long periodic perturbations are derived by numerical integrations, and the short periodic perturbations are derived analytically. The perturbations due to the tides can be included in the same way. In the Appendix, the motion of the orbital plane for a synchronous satellite is discussed; it is concluded that the inclination cannot stay below 7 deg.

Solutions of the motion of synchronous satellites with arbitrary eccentricity and inclination

NASA Technical Reports Server (NTRS)

Nacozy, P. E.; Diehl, R. E.

1975-01-01

A first order, semianalytical theory for the long term motion of resonant satellites is presented. The theory is valid for all eccentricities and inclinations and for all commensurability ratios. The method allows the inclusion of all the zonal and tesseral harmonics as well as luni solar perturbations and radiation pressure. The method is applied to a synchronous satellite including only the J sub 2 and J sub 22 harmonics. Global, long term solutions for this problem, eccentricity, argument of perigee, and inclination are obtained.

Correlation effects in superconducting quantum dot systems

NASA Astrophysics Data System (ADS)

Pokorný, Vladislav; Žonda, Martin

2018-05-01

We study the effect of electron correlations on a system consisting of a single-level quantum dot with local Coulomb interaction attached to two superconducting leads. We use the single-impurity Anderson model with BCS superconducting baths to study the interplay between the proximity induced electron pairing and the local Coulomb interaction. We show how to solve the model using the continuous-time hybridization-expansion quantum Monte Carlo method. The results obtained for experimentally relevant parameters are compared with results of self-consistent second order perturbation theory as well as with the numerical renormalization group method.

Successes and surprises with computer-extended series

NASA Astrophysics Data System (ADS)

van Dyke, M.

An alternative to purely numerical solution of flow problems showing promise is the seminumerical technique that involves extending a perturbation series to high order by delegating the mounting arithmetic to a computer. It is noted, however, that since the method is still under development, several erroneous conclusions have been published. First, three clear successes of this method are described. It is then shown how a failure to carefully assess results has in two cases led to false conclusions. Finally, two problems are discussed that yield surprising results not yet accepted by all other investigators.