Science.gov

Sample records for ground state shapes

  1. Analysis spectral shapes from California and central United States ground motion

    SciTech Connect

    Not Available

    1994-01-24

    The objective of this study is to analyze the spectral shapes from earthquake records with magnitudes and distances comparable to those that dominate seismic hazard at Oak Ridge, in order to provide guidance for the selection of site-specific design-spectrum shapes for use in Oak Ridge. The authors rely heavily on California records because the number of relevant records from the central and eastern United States (CEUS) is not large enough for drawing statistically significant conclusions. They focus on the 0.5 to 10-Hz frequency range for two reasons: (1) this is the frequency range of most engineering interest, and (2) they avoid the effect of well-known differences in the high-frequency energy content between California and CEUS ground motions.

  2. Triaxial shapes in the ground states of even-even neutron-rich Ru isotopes

    SciTech Connect

    Ahmad, I.; Lister, C.J.; Morss, L.R.

    1995-08-01

    Partial level schemes for {sup 108,110,112}Ru, and {sup 114}Ru about which nothing was previously known, were determined from the measurement of prompt, triple-gamma coincidences in {sup 248}Cm fission fragments. A 5-mg {sup 249}Cm source, mixed with 65-mg KCl and pressed in the form of a 7-mm diameter pellet, was used for the experiment. Prompt {gamma} rays emitted from the fission fragments were detected with the Eurogam array at Daresbury, which at that time consisted of 45 Compton suppressed Ge detectors and 5 LEPS spectrometers. Transitions in Ru were identified by gating on {gamma} rays in the complementary Te fragments. Figure I-25 shows the technique used to identify the previously unknown transitions in {sup 114}Ru and its partial level scheme. High spin states up to spin 10 h were observed and the {gamma}-ray branching ratios were determined. The ratios of electric quadrupole transition probabilities deduced from the experimental branching ratios were found to be in good agreement with the predictions of a simple model of rigid triaxial rotor. Our analysis shows that gamma deformation in Ru isotopes is increasing with the neutron number and the gamma value for {sup 112}Ru and {sup 114}Ru is {approximately} 25 degrees. This is one of the highest gamma values encountered in nuclei, suggesting soft triaxial shapes for {sup 112}Ru and {sup 114}Ru. The results of this investigation were published.

  3. Evolution of ground state nuclear shapes in tungsten nuclei in terms of interacting boson model

    NASA Astrophysics Data System (ADS)

    Khalaf, A. M.; El-Shal, A. O.; Taha, M. M.; El-Sayed, M. A.

    2016-03-01

    The tungsten nuclei 180-190W are investigated within the framework of the interacting boson model using an intrinsic coherent state formalism. The Hamiltonian operator contains only multipole operators of the subalgebra associated with the dynamical symmetries SU(3) and O(6). The study includes the behavior of potential energy surfaces (BES's) and critical points in the space of the model parameters to declare the geometric character of the tungsten isotopic chain. Some selected energy levels and reduced E2 transition probabilities B(E2) for each nucleus are calculated to adjust the model parameters by using a computer code PH INT and simulated computer fitting programme to fit the experimental data with the IBM calculation by minimizing the root mean square deviations. The 180-190W isotopes lies in shape transition SU(3)-O(6) region of the IBM such that the lighter isotopes comes very clare to the SU(3) limit, while the behavior ones tend to be near the γ-unstable O(6) limit.

  4. Shape resonances in ground-state diatomic molecules: General trends and the example of RbCs

    SciTech Connect

    Londono, B. E.; Mahecha, J. E.; Luc-Koenig, E.; Crubellier, A.

    2010-07-15

    The presence of shape resonances due to tunneling through the centrifugal barrier modifies strongly the dynamics of cold atom scattering. As shown on the example of the ground and lowest triplet electronic states of the {sup 85}Rb{sup 133}Cs molecule, the crucial parameter is, as usual for cold collisions, the scattering length. A general description of shape resonances of diatomic molecules is given from three simple single channel asymptotic models, whose respective performances are discussed. The first model, which consists of a R{sup -6} potential limited at short range by a repulsive wall, positioned to reproduce the s-wave scattering length, accounts satisfactorily for the main system-independent properties of shape resonances. Introduction in the model of energy- and angular-momentum-dependent nodal lines specific to the inner part of the potential greatly improves its efficiency. When the energy and angular momentum dependence of the nodal lines cannot be deduced from full potential calculations or from experiment, a rough, but universal, estimate of these properties is obtained by extending the R{sup -6} behavior of the potential up to the origin.

  5. Effects of transverse trapping on the ground state of a cigar-shaped two-component Bose—Einstein condensate

    NASA Astrophysics Data System (ADS)

    Cui, Guo-Dong; Sun, Jian-Fang; Jiang, Bo-Nan; Qian, Jun; Wang, Yu-Zhu

    2013-09-01

    We derive the coupled nonpolynomial nonlinear Schrödinger equations for a two-component Bose—Einstein condensate in a quasi-one-dimension geometry and investigate the effects of a tightly transverse trapping on the ground state and the miscibility—immiscibility threshold. We find that the density profile of the matter wavepacket is remarkably dependent on the transverse width and the effective one-dimension nonlinear coupling strengths in miscible and immiscible regimes.

  6. Ground State Spin Logic

    NASA Astrophysics Data System (ADS)

    Whitfield, James; Faccin, Mauro; Biamonte, Jacob

    2013-03-01

    Designing and optimizing cost functions and energy landscapes is a problem encountered in many fields of science and engineering. These landscapes and cost functions can be embedded and annealed in experimentally controllable spin Hamiltonians. Using an approach based on group theory and symmetries, we examine the embedding of Boolean logic gates into the ground-state subspace of such spin systems. We describe parameterized families of diagonal Hamiltonians and symmetry operations which preserve the ground-state subspace encoding the truth tables of Boolean formulas. The ground-state embeddings of adder circuits are used to illustrate how gates are combined and simplified using symmetry. Our work is relevant for experimental demonstrations of ground-state embeddings found in both classical optimization as well as adiabatic quantum optimization.

  7. Ground states of holographic superconductors

    SciTech Connect

    Gubser, Steven S.; Nellore, Abhinav

    2009-11-15

    We investigate the ground states of the Abelian Higgs model in AdS{sub 4} with various choices of parameters, and with no deformations in the ultraviolet other than a chemical potential for the electric charge under the Abelian gauge field. For W-shaped potentials with symmetry-breaking minima, an analysis of infrared asymptotics suggests that the ground state has emergent conformal symmetry in the infrared when the charge of the complex scalar is large enough. But when this charge is too small, the likeliest ground state has Lifshitz-like scaling in the infrared. For positive mass quadratic potentials, Lifshitz-like scaling is the only possible infrared behavior for constant nonzero values of the scalar. The approach to Lifshitz-like scaling is shown in many cases to be oscillatory.

  8. Ground-state spin logic

    NASA Astrophysics Data System (ADS)

    Whitfield, J. D.; Faccin, M.; Biamonte, J. D.

    2012-09-01

    Designing and optimizing cost functions and energy landscapes is a problem encountered in many fields of science and engineering. These landscapes and cost functions can be embedded and annealed in experimentally controllable spin Hamiltonians. Using an approach based on group theory and symmetries, we examine the embedding of Boolean logic gates into the ground-state subspace of such spin systems. We describe parameterized families of diagonal Hamiltonians and symmetry operations which preserve the ground-state subspace encoding the truth tables of Boolean formulas. The ground-state embeddings of adder circuits are used to illustrate how gates are combined and simplified using symmetry. Our work is relevant for experimental demonstrations of ground-state embeddings found in both classical optimization as well as adiabatic quantum optimization.

  9. Inhibitory Competition between Shape Properties in Figure-Ground Perception

    ERIC Educational Resources Information Center

    Peterson, Mary A.; Skow, Emily

    2008-01-01

    Theories of figure-ground perception entail inhibitory competition between either low-level units (edge or feature units) or high-level shape properties. Extant computational models instantiate the 1st type of theory. The authors investigated a prediction of the 2nd type of theory: that shape properties suggested on the ground side of an edge are…

  10. Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin-orbit configuration interaction singles and doubles calculations of the ground and low-lying excited states of U(4+) and U(5+).

    PubMed

    Beck, Eric V; Brozell, Scott R; Blaudeau, Jean-Philippe; Burggraf, Larry W; Pitzer, Russell M

    2009-11-12

    Multireference spin-orbit configuration interaction calculations were used to determine the accuracy of 60-, 68-, and 78-electron shape-consistent relativistic effective core potentials (RECPs) for uranium V and VI ground and low-lying excited states. Both 5f(n) and (5f6d)(n), (n = 1, 2) reference spaces were investigated using correlation-consistent double-zeta quality basis sets. Accuracy was assessed against gas-phase experimental spectra. The 68-electron RECP calculations yielded low relative and rms errors and predicted the empirical ordering of states most consistently. PMID:19888778

  11. Triplet (S = 1) Ground State Aminyl Diradical

    SciTech Connect

    Rajca, Andrzej; Shiraishi, Kouichi; Pink, Maren; Rajca, Suchada

    2008-04-02

    Aminyl diradical, which is stable in solution at low temperatures, is prepared. EPR spectra and SQUID magnetometry indicate that the diradical is planar and it possesses triplet ground state, with strong ferromagnetic coupling.

  12. On the ground state of metallic hydrogen

    NASA Technical Reports Server (NTRS)

    Chakravarty, S.; Ashcroft, N. W.

    1978-01-01

    A proposed liquid ground state of metallic hydrogen at zero temperature is explored and a variational upper bound to the ground state energy is calculated. The possibility that the metallic hydrogen is a liquid around the metastable point (rs = 1.64) cannot be ruled out. This conclusion crucially hinges on the contribution to the energy arising from the third order in the electron-proton interaction which is shown here to be more significant in the liquid phase than in crystals.

  13. Lattice QCD Beyond Ground States

    SciTech Connect

    Huey-Wen Lin; Saul D. Cohen

    2007-09-11

    In this work, we apply black box methods (methods not requiring input) to find excited-state energies. A variety of such methods for lattice QCD were introduced at the 3rd iteration of the numerical workshop series. We first review a selection of approaches that have been used in lattice calculations to determine multiple energy states: multiple correlator fits, the variational method and Bayesian fitting. In the second half, we will focus on a black box method, the multi-effective mass. We demonstrate the approach on a toy model, as well as on real lattice data, extracting multiple states from single correlators. Without complicated operator construction or specialized fitting programs, the black box method shows good consistency with the traditional approaches.

  14. Mimicking time evolution within a quantum ground state: Ground-state quantum computation, cloning, and teleportation

    SciTech Connect

    Mizel, Ari

    2004-07-01

    Ground-state quantum computers mimic quantum-mechanical time evolution within the amplitudes of a time-independent quantum state. We explore the principles that constrain this mimicking. A no-cloning argument is found to impose strong restrictions. It is shown, however, that there is flexibility that can be exploited using quantum teleportation methods to improve ground-state quantum computer design.

  15. Numerical Evaluation of 2D Ground States

    NASA Astrophysics Data System (ADS)

    Kolkovska, Natalia

    2016-02-01

    A ground state is defined as the positive radial solution of the multidimensional nonlinear problem \\varepsilon propto k_ bot 1 - ξ with the function f being either f(u) =a|u|p-1u or f(u) =a|u|pu+b|u|2pu. The numerical evaluation of ground states is based on the shooting method applied to an equivalent dynamical system. A combination of fourth order Runge-Kutta method and Hermite extrapolation formula is applied to solving the resulting initial value problem. The efficiency of this procedure is demonstrated in the 1D case, where the maximal difference between the exact and numerical solution is ≈ 10-11 for a discretization step 0:00025. As a major application, we evaluate numerically the critical energy constant. This constant is defined as a functional of the ground state and is used in the study of the 2D Boussinesq equations.

  16. Cavity optomechanics -- beyond the ground state

    NASA Astrophysics Data System (ADS)

    Meystre, Pierre

    2011-05-01

    The coupling of coherent optical systems to micromechanical devices, combined with breakthroughs in nanofabrication and in ultracold science, has opened up the exciting new field of cavity optomechanics. Cooling of the vibrational motion of a broad range on oscillating cantilevers and mirrors near their ground state has been demonstrated, and the ground state of at least one such system has now been reached. Cavity optomechanics offers much promise in addressing fundamental physics questions and in applications such as the detection of feeble forces and fields, or the coherent control of AMO systems and of nanoscale electromechanical devices. However, these applications require taking cavity optomechanics ``beyond the ground state.'' This includes the generation and detection of squeezed and other non-classical states, the transfer of squeezing between electromagnetic fields and motional quadratures, and the development of measurement schemes for the characterization of nanomechanical structures. The talk will present recent ``beyond ground state'' developments in cavity optomechanics. We will show how the magnetic coupling between a mechanical membrane and a BEC - or between a mechanical tuning fork and a nanoscale cantilever - permits to control and monitor the center-of-mass position of the mechanical system, and will comment on the measurement back-action on the membrane motion. We will also discuss of state transfer between optical and microwave fields and micromechanical devices. Work done in collaboration with Dan Goldbaum, Greg Phelps, Keith Schwab, Swati Singh, Steve Steinke, Mehmet Tesgin, and Mukund Vengallatore and supported by ARO, DARPA, NSF, and ONR.

  17. Ground state number fluctuations of trapped particles

    NASA Astrophysics Data System (ADS)

    Tran, Muoi N.

    This thesis encompasses a number of problems related to the number fluctuations from the ground state of ideal particles in different statistical ensembles. In the microcanonical ensemble most of these problems may be solved using number theory. Given an energy E, the well-known problem of finding the number of ways of distributing N bosons over the excited levels of a one-dimensional harmonic spectrum, for instance, is equivalent to the number of restricted partitions of E. As a result, the number fluctuation from the ground state in the microcanonical ensemble for this system may be found analytically. When the particles are fermions instead of bosons, however, it is difficult to calculate the exact ground state number fluctuation because the fermionic ground state consists of many levels. By breaking up the energy spectrum into particle and hole sectors, and mapping the problem onto the classic number partitioning theory, we formulate a method of calculating the particle number fluctuation from the ground state in the microcanonical ensemble for fermions. The same quantity is calculated for particles interacting via an inverse-square pairwise interaction in one dimension. In the canonical ensemble, an analytical formula for the ground state number fluctuation is obtained by using the mapping of this system onto a system of noninteracting particles obeying the Haldane-Wu exclusion statistics. In the microcanonical ensemble, however, the result can be obtained only for a limited set of values of the interacting strength parameter. Usually, for a discrete set of a mean-field single-particle quantum spectrum and in the microcanonical ensemble, there are many combinations of exciting particles from the ground state. The spectrum given by the logarithms of the prime number sequence, however, is a counterexample to this rule. Here, as a consequence of the fundamental theorem of arithmetic, there is a one-to-one correspondence between the microstate and the macrostate

  18. Trapped antihydrogen in its ground state.

    PubMed

    Gabrielse, G; Kalra, R; Kolthammer, W S; McConnell, R; Richerme, P; Grzonka, D; Oelert, W; Sefzick, T; Zielinski, M; Fitzakerley, D W; George, M C; Hessels, E A; Storry, C H; Weel, M; Müllers, A; Walz, J

    2012-03-16

    Antihydrogen atoms (H¯) are confined in an Ioffe trap for 15-1000 s-long enough to ensure that they reach their ground state. Though reproducibility challenges remain in making large numbers of cold antiprotons (p¯) and positrons (e(+)) interact, 5±1 simultaneously confined ground-state atoms are produced and observed on average, substantially more than previously reported. Increases in the number of simultaneously trapped H¯ are critical if laser cooling of trapped H¯ is to be demonstrated and spectroscopic studies at interesting levels of precision are to be carried out. PMID:22540471

  19. Individual Atoms in their Quantum Ground State

    NASA Astrophysics Data System (ADS)

    Schwartz, Eyal; Sompet, Pimonpan; Fung, Yin Hsien; Andersen, Mikkel F.

    2016-05-01

    An ultimate control of pure quantum states is an excellent platform for various quantum science and engineering. In this work, we perform quantum manipulation of individual Rubidium atoms in a tightly focus optical tweezer in order to cool them into their vibrational ground state via Raman sideband cooling. Our experimental scheme involves a combination of Raman sideband transitions and optical pumping of the atoms that couples two magnetic field sublevels indifferent to magnetic noise thus providing a much longer atomic coherence time compared to previous cooling schemes. By installing most of the atoms in their ground state, we managed to achieve two-dimensional cooling on the way to create a full nil entropy quantum state of single atoms and single molecules. We acknowledge the Marsden Fund, CORE and DWC for their support.

  20. Nuclear ground-state masses and deformations: FRDM(2012)

    DOE PAGESBeta

    Moller, P.; Sierk, A. J.; Ichikawa, T.; Sagawa, H.

    2016-03-25

    Here, we tabulate the atomic mass excesses and binding energies, ground-state shell-plus-pairing corrections, ground-state microscopic corrections, and nuclear ground-state deformations of 9318 nuclei ranging from 16O to A=339. The calculations are based on the finite-range droplet macroscopic and the folded-Yukawa single-particle microscopic nuclear-structure models, which are completely specified. Relative to our FRDM(1992) mass table in Möller et al. (1995), the results are obtained in the same model, but with considerably improved treatment of deformation and fewer of the approximations that were necessary earlier, due to limitations in computer power. The more accurate execution of the model and the more extensivemore » and more accurate experimental mass data base now available allow us to determine one additional macroscopic-model parameter, the density-symmetry coefficient LL, which was not varied in the previous calculation, but set to zero. Because we now realize that the FRDM is inaccurate for some highly deformed shapes occurring in fission, because some effects are derived in terms of perturbations around a sphere, we only adjust its macroscopic parameters to ground-state masses.« less

  1. On the ground state of quantum gravity

    NASA Astrophysics Data System (ADS)

    Cacciatori, S.; Preparata, G.; Rovelli, S.; Spagnolatti, I.; Xue, S.-S.

    1998-05-01

    In order to gain insight into the possible ground state of quantized Einstein's gravity, we have devised a variational calculation of the energy of the quantum gravitational field in an open space, as measured by an asymptotic observer living in an asymptotically flat space-time. We find that for quantum gravity (QG) it is energetically favourable to perform its quantum fluctuations not upon flat space-time but around a ``gas'' of wormholes, whose size is the Planck length ap (ap~=10-33 cm). As a result, assuming such configuration to be a good approximation to the true ground state of quantum gravity, space-time, the arena of physical reality, turns out to be well described by Wheeler's Quantum Foam and adequately modeled by a space-time lattice with lattice constant ap, the Planck lattice. All rights reserved

  2. Magnetic properties of ground-state mesons

    NASA Astrophysics Data System (ADS)

    Šimonis, V.

    2016-04-01

    Starting with the bag model a method for the study of the magnetic properties (magnetic moments, magnetic dipole transition widths) of ground-state mesons is developed. We calculate the M1 transition moments and use them subsequently to estimate the corresponding decay widths. These are compared with experimental data, where available, and with the results obtained in other approaches. Finally, we give the predictions for the static magnetic moments of all ground-state vector mesons including those containing heavy quarks. We have a good agreement with experimental data for the M1 decay rates of light as well as heavy mesons. Therefore, we expect our predictions for the static magnetic properties ( i.e., usual magnetic moments) to be of sufficiently high quality, too.

  3. Ground-state energy of nuclear matter

    NASA Astrophysics Data System (ADS)

    Baker, George A., Jr.; Benofy, L. P.; Fortes, Mauricio

    1988-07-01

    The low-density expansion of the ground-state energy for spin-dependent forces is given, through order k6F for the ladder approximation and through order k6FlnkF for the complete energy, in terms of derivatives with respect to the strength of the attractive part of the interaction defined by the Baker-Hind-Kahane potential. The ladder approximation is also computed by the numerical solution of the K-matrix equation. The resulting series gives a satisfactory representation of the energy at interesting densities. Using Padé extrapolation techniques, both in the density and in the attractive part of the interaction, we obtain the ground-state energy of nuclear matter.

  4. Ground state of the hydrogen negative ion

    NASA Astrophysics Data System (ADS)

    Obreshkov, Boyan

    2009-03-01

    Based on recently developed variational many-body Schr"odinger equation for electrons with Coulomb interactions [1], we provide first numerical results for the ground state electron structure of the hydrogen negative ion. It is shown that Fermi-Teller promotion effect together with non-adiabatic screening effects due to the Pauli's exclusion principle are responsible for the weak binding of the anion. The calculated ionization potential J=-1/2 - 2 λ+ <1/r12> of the hydrogen negative ion is compared with the experiment, where λ is the mean binding energy per one electron in the ground state.[0pt] [1] B. D. Obreshkov , Phys. Rev. A 78, 032503 (2008).

  5. Ground state energy of large polaron systems

    SciTech Connect

    Benguria, Rafael D.; Frank, Rupert L.; Lieb, Elliott H.

    2015-02-15

    The last unsolved problem about the many-polaron system, in the Pekar–Tomasevich approximation, is the case of bosons with the electron-electron Coulomb repulsion of strength exactly 1 (the “neutral case”). We prove that the ground state energy, for large N, goes exactly as −N{sup 7/5}, and we give upper and lower bounds on the asymptotic coefficient that agree to within a factor of 2{sup 2/5}.

  6. Ground state degeneracy of interacting spinless fermions

    NASA Astrophysics Data System (ADS)

    Wei, Zhong-Chao; Han, Xing-Jie; Xie, Zhi-Yuan; Xiang, Tao

    2015-10-01

    We propose an eigenoperator scheme to study the lattice model of interacting spinless fermions at half filling and show that this model possesses a hidden form of reflection positivity in its Majorana fermion representation. Based on this observation, we prove rigourously that the ground state of this model is either unique or doubly degenerate if the lattice size N is even, and is always doubly degenerate if N is odd. This proof holds in all dimensions with arbitrary lattice structures.

  7. Ground state searches in fcc intermetallics

    SciTech Connect

    Wolverton, C.; de Fontaine, D. ); Ceder, G. ); Dreysse, H. . Lab. de Physique du Solide)

    1991-12-01

    A cluster expansion is used to predict the fcc ground states, i.e., the stable phases at zero Kelvin as a function of composition, for alloy systems. The intermetallic structures are not assumed, but derived regorously by minimizing the configurational energy subject to linear constraints. This ground state search includes pair and multiplet interactions which spatially extend to fourth nearest neighbor. A large number of these concentration-independent interactions are computed by the method of direct configurational averaging using a linearized-muffin-tin orbital Hamiltonian cast into tight binding form (TB-LMTO). The interactions, derived without the use of any adjustable or experimentally obtained parameters, are compared to those calculated via the generalized perturbation method extention of the coherent potential approximation within the context of a KKR Hamiltonian (KKR-CPA-GPM). Agreement with the KKR-CPA-GPM results is quite excellent, as is the comparison of the ground state results with the fcc-based portions of the experimentally-determined phase diagrams under consideration.

  8. Proteome Analysis of Ground State Pluripotency

    PubMed Central

    Taleahmad, Sara; Mirzaei, Mehdi; Parker, Lindsay M.; Hassani, Seyedeh-Nafiseh; Mollamohammadi, Sepideh; Sharifi-Zarchi, Ali; Haynes, Paul A.; Baharvand, Hossein; Salekdeh, Ghasem Hosseini

    2015-01-01

    The differentiation potential of pluripotent embryonic stem cells (ESCs) can be manipulated via serum and medium conditions for direct cellular development or to maintain a naïve ground state. The self-renewal state of ESCs can thus be induced by adding inhibitors of mitogen activated protein kinase (MAPK) and glycogen synthase kinase-3 (Gsk3), known as 2 inhibitors (2i) treatment. We have used a shotgun proteomics approach to investigate differences in protein expressions between 2i- and serum-grown mESCs. The results indicated that 164 proteins were significantly upregulated and 107 proteins downregulated in 2i-grown cells compared to serum. Protein pathways in 2i-grown cells with the highest enrichment were associated with glycolysis and gluconeogenesis. Protein pathways related to organ development were downregulated in 2i-grown cells. In serum-grown ESCs, protein pathways involved in integrin and focal adhesion, and signaling proteins involved in the actin cytoskeleton regulation were enriched. We observed a number of nuclear proteins which were mostly involved in self-renewal maintenance and were expressed at higher levels in 2i compared to serum - Dnmt1, Map2k1, Parp1, Xpo4, Eif3g, Smarca4/Brg1 and Smarcc1/Baf155. Collectively, the results provided an insight into the key protein pathways used by ESCs in the ground state or metastable conditions through 2i or serum culture medium, respectively. PMID:26671762

  9. Ground state fidelity from tensor network representations.

    PubMed

    Zhou, Huan-Qiang; Orús, Roman; Vidal, Guifre

    2008-02-29

    For any D-dimensional quantum lattice system, the fidelity between two ground state many-body wave functions is mapped onto the partition function of a D-dimensional classical statistical vertex lattice model with the same lattice geometry. The fidelity per lattice site, analogous to the free energy per site, is well defined in the thermodynamic limit and can be used to characterize the phase diagram of the model. We explain how to compute the fidelity per site in the context of tensor network algorithms, and demonstrate the approach by analyzing the two-dimensional quantum Ising model with transverse and parallel magnetic fields. PMID:18352611

  10. Structures and Binding Energies of the Naphthalene Dimer in Its Ground and Excited States.

    PubMed

    Dubinets, N O; Safonov, A A; Bagaturyants, A A

    2016-05-01

    Possible structures of the naphthalene dimer corresponding to local energy minima in the ground and excited (excimer) electronic states are comprehensively investigated using DFT-D and TDDFT-D methods with a special accent on the excimer structures. The corresponding binding and electronic transition energies are calculated, and the nature of the electronic states in different structures is analyzed. Several parallel (stacked) and T-shaped structures were found in both the ground and excited (excimer) states in a rather narrow energy range. The T-shaped structure with the lowest energy in the excited state exhibits a marked charge transfer from the upright molecule to the base one. PMID:27080987

  11. Ground-state structures of Hafnium clusters

    SciTech Connect

    Ng, Wei Chun; Yoon, Tiem Leong; Lim, Thong Leng

    2015-04-24

    Hafnium (Hf) is a very large tetra-valence d-block element which is able to form relatively long covalent bond. Researchers are interested to search for substitution to silicon in the semi-conductor industry. We attempt to obtain the ground-state structures of small Hf clusters at both empirical and density-functional theory (DFT) levels. For calculations at the empirical level, charge-optimized many-body functional potential (COMB) is used. The lowest-energy structures are obtained via a novel global-minimum search algorithm known as parallel tempering Monte-Carlo Basin-Hopping and Genetic Algorithm (PTMBHGA). The virtue of using COMB potential for Hf cluster calculation lies in the fact that by including the charge optimization at the valence shells, we can encourage the formation of proper bond hybridization, and thus getting the correct bond order. The obtained structures are further optimized using DFT to ensure a close proximity to the ground-state.

  12. Continuous Vibrational Cooling of Ground State Rb2

    NASA Astrophysics Data System (ADS)

    Tallant, Jonathan; Marcassa, Luis

    2014-05-01

    The process of photoassociation generally results in a distribution of vibrational levels in the electronic ground state that is energetically close to the dissociation limit. Several schemes have appeared that aim to transfer the population from the higher vibrational levels to lower ones, especially the ground vibrational state. We demonstrate continuous production of vibrationally cooled Rb2 using optical pumping. The vibrationally cooled molecules are produced in three steps. First, we use a dedicated photoassociation laser to produce molecules in high vibrational levels of the X1Σg+ state. Second, a broadband fiber laser at 1071 nm is used to transfer the molecules to lower vibrational levels via optical pumping through the A1Σu+ state. This process transfers the molecules from vibrational levels around ν ~= 113 to a distribution of levels where ν < 35. The molecules may then be further cooled using a broadband superluminescent diode near 685 nm that has its frequency spectrum shaped. The resulting vibrational distributions are probed using resonance-enhanced multiphoton ionization with a pulsed dye laser near 670 nm. The results are presented and compared with theoretical simulations. This work was supported by Fapesp and INCT-IQ.

  13. Thermodynamic ground states of platinum metal nitrides

    SciTech Connect

    Aberg, D; Sadigh, B; Crowhurst, J; Goncharov, A

    2007-10-09

    We have systematically studied the thermodynamic stabilities of various phases of the nitrides of the platinum metal elements using density functional theory. We show that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in which the metal ions occupy simple tetragonal lattice sites, have lower formation enthalpies at ambient conditions than any previously proposed structures. The region of stability can extend up to 17 GPa for PtN{sub 2}. Furthermore, we show that according to calculations using the local density approximation, these new compounds are also thermodynamically stable at ambient pressure and thus may be the ground state phases for these materials. We further discuss the fact that the local density and generalized gradient approximations predict different values of the absolute formation enthalpies as well different relative stabilities between simple tetragonal and the pyrite or marcasite structures.

  14. Probing the ground state in gauge theories

    SciTech Connect

    Heinzl, T.; Ilderton, A.; Langfeld, K.; Lavelle, M.; McMullan, D.; Lutz, W.

    2008-03-01

    We consider two very different models of the flux tube linking two heavy quarks: a string linking the matter fields and a Coulombic description of two separately gauge invariant charges. We compare how close they are to the unknown true ground state in compact U(1) and the SU(2) Higgs model. Simulations in compact U(1) show that the string description is better in the confined phase but the Coulombic description is best in the deconfined phase; the last result is shown to agree with analytical calculations. Surprisingly in the nonabelian theory the Coulombic description is better in both the Higgs and confined phases. This indicates a significant difference in the width of the flux tubes in the two theories.

  15. Ground state of high-density matter

    NASA Technical Reports Server (NTRS)

    Copeland, ED; Kolb, Edward W.; Lee, Kimyeong

    1988-01-01

    It is shown that if an upper bound to the false vacuum energy of the electroweak Higgs potential is satisfied, the true ground state of high-density matter is not nuclear matter, or even strange-quark matter, but rather a non-topological soliton where the electroweak symmetry is exact and the fermions are massless. This possibility is examined in the standard SU(3) sub C tensor product SU(2) sub L tensor product U(1) sub Y model. The bound to the false vacuum energy is satisfied only for a narrow range of the Higgs boson masses in the minimal electroweak model (within about 10 eV of its minimum allowed value of 6.6 GeV) and a somewhat wider range for electroweak models with a non-minimal Higgs sector.

  16. Ground states of finite spherical Yukawa crystals

    NASA Astrophysics Data System (ADS)

    Baumgartner, H.; Asmus, D.; Golubnychiy, V.; Ludwig, P.; Kählert, H.; Bonitz, M.

    2008-09-01

    Small three-dimensional strongly coupled clusters of charged particles in a spherical confinement potential arrange themselves in nested concentric shells. If the particles are immersed into a background plasma the interaction is screened. The cluster shell configuration is known to be sensitive to the screening strength. With increased screening, an increased population of the inner shell(s) is observed. Here, we present a detailed analysis of the ground state shell configurations and configuration changes in a wide range of screening parameters for clusters with particle numbers N in the range of 11 to 60. We report three types of anomalous behaviors which are observed upon increase of screening, at fixed N or for an increase of N at fixed screening. The results are obtained by means of extensive first principle molecular dynamics simulations.

  17. Ground test of the D shaped vented thrust vectoring nozzle

    NASA Technical Reports Server (NTRS)

    Esker, D. W.

    1976-01-01

    Static ground tests of a large scale lift/cruise thrust vectoring nozzle were conducted to establish: (1) vectoring performance 'in' and 'out' of ground effect; (2) thrust spoilage capability; (3) compatibility of the nozzle with a turbotip fan; and (4) the nozzle structural temperature distribution. Vectoring performance of a short coupled, vented nozzle design on a large scale, (60%) basis was compared with small scale (4.5%) test nozzle results. The test nozzle was a "boilerplate" model of the MCAIR "D" vented nozzle configured for operation with the LF336/J85 turbotip lift fan system. Calibration of the LF336/J85 test fan with a simple convergent nozzle was performed with four different nozzle exit areas to establish reference thrust, nozzle pressure ratio, and nozzle corrected flow characteristics for comparison with the thrust vectoring nozzle data. Thrust vectoring tests with the 'D' vented nozzle were conducted over the range of vector angles between 0 and 117 deg for several different nozzle exit areas.

  18. Cruising the rain forest floor: butterfly wing shape evolution and gliding in ground effect.

    PubMed

    Cespedes, Ann; Penz, Carla M; DeVries, Philip J

    2015-05-01

    Flight is a key innovation in the evolutionary success of insects and essential to dispersal, territoriality, courtship and oviposition. Wing shape influences flight performance and selection likely acts to maximize performance for conducting essential behaviours that in turn results in the evolution of wing shape. As wing shape also contributes to fitness, optimal shapes for particular flight behaviours can be assessed with aerodynamic predictions and placed in an ecomorphological context. Butterflies in the tribe Haeterini (Nymphalidae) are conspicuous members of understorey faunas in lowland Neotropical forests. Field observations indicate that the five genera in this clade differ in flight height and behaviour: four use gliding flight at the forest floor level, and one utilizes flapping flight above the forest floor. Nonetheless, the association of ground level gliding flight behaviour and wing shape has never been investigated in this or any other butterfly group. We used landmark-based geometric morphometrics to test whether wing shapes in Haeterini and their close relatives reflected observed flight behaviours. Four genera of Haeterini and some distantly related Satyrinae showed significant correspondence between wing shape and theoretical expectations in performance trade-offs that we attribute to selection for gliding in ground effect. Forewing shape differed between sexes for all taxa, and male wing shapes were aerodynamically more efficient for gliding flight than corresponding females. This suggests selection acts differentially on male and female wing shapes, reinforcing the idea that sex-specific flight behaviours contribute to the evolution of sexual dimorphism. Our study indicates that wing shapes in Haeterini butterflies evolved in response to habitat-specific flight behaviours, namely gliding in ground effect along the forest floor, resulting in ecomorphological partitions of taxa in morphospace. The convergent flight behaviour and wing morphology

  19. Engineering the Ground State of Complex Oxides

    NASA Astrophysics Data System (ADS)

    Meyers, Derek Joseph

    Transition metal oxides featuring strong electron-electron interactions have been at the forefront of condensed matter physics research in the past few decades due to the myriad of novel and exciting phases derived from their competing interactions. Beyond their numerous intriguing properties displayed in the bulk they have also shown to be quite susceptible to externally applied perturbation in various forms. The dominant theme of this work is the exploration of three emerging methods for engineering the ground states of these materials to access both their applicability and their deficiencies. The first of the three methods involves a relatively new set of compounds which adhere to a unique paradigm in chemical doping, a-site ordered perovskites. These compounds are iso-structural, i.e. constant symmetry, despite changing the dopant ions. We find that these materials, featuring Cu at the doped A-site, display the Zhang-Rice state, to varying degrees, found in high temperature superconducting cuprates, with the choice of B-site allowing "self-doping" within the material. Further, we find that within CaCu3Ir 4O12 the Cu gains a localized magnetic moment and leads to the experimentally observed heavy fermion state in the materials, one of only two such non-f-electron heavy fermion materials. Next, epitaxial constraint is used to modify the ground state of the rare-earth nickelates in ultra thin film form. Application of compressive (tensile) strain is found to suppress (maintain) the temperature at which the material goes through a Mott metal-insulator transition. Further, while for EuNiO3 thin films the typical bulk-like magnetic and charge ordering is found to occur, epitaxial strain is found to suppress the charge ordering in NdNiO3 thin films due to pinning to the substrate and the relatively weak tendency to monoclinically distort. Finally, the creation of superlattices of EuNiO3 and LaNiO3 was shown to not only allow the selection of the temperature at which

  20. Ground state properties of superheavy nuclei with Z=117 and Z=119

    SciTech Connect

    Ren Zhongzhou; Chen Dinghan; Xu Chang

    2006-11-02

    We review the current studies on the ground-state properties of superheavy nuclei. It is shown that there is shape coexistence for the ground state of many superheavy nuclei from different models and many superheavy nuclei are deformed. This can lead to the existence of isomers in superheavy region and it plays an important role for the stability of superheavy nuclei. Some new results on Z=117 and Z=119 isotopes are presented. The agreement between theoretical results and experimental data clearly demonstrates the validity of theoretical models for the ground-state properties of superheavy nuclei.

  1. Nuclear ground-state masses and deformations: FRDM(2012)

    NASA Astrophysics Data System (ADS)

    Möller, P.; Sierk, A. J.; Ichikawa, T.; Sagawa, H.

    2016-05-01

    We tabulate the atomic mass excesses and binding energies, ground-state shell-plus-pairing corrections, ground-state microscopic corrections, and nuclear ground-state deformations of 9318 nuclei ranging from 16O to A = 339. The calculations are based on the finite-range droplet macroscopic and the folded-Yukawa single-particle microscopic nuclear-structure models, which are completely specified. Relative to our FRDM(1992) mass table in Möller et al. (1995), the results are obtained in the same model, but with considerably improved treatment of deformation and fewer of the approximations that were necessary earlier, due to limitations in computer power. The more accurate execution of the model and the more extensive and more accurate experimental mass data base now available allow us to determine one additional macroscopic-model parameter, the density-symmetry coefficient L, which was not varied in the previous calculation, but set to zero. Because we now realize that the FRDM is inaccurate for some highly deformed shapes occurring in fission, because some effects are derived in terms of perturbations around a sphere, we only adjust its macroscopic parameters to ground-state masses. The values of ten constants are determined directly from an optimization to fit ground-state masses of 2149 nuclei ranging from 16O to 106265Sg and 108264Hs. The error of the mass model is 0.5595 MeV for the entire region of nuclei included in the adjustment, but is only 0.3549 MeV for the region N ≥ 65. We also provide masses in the FRLDM, which in the more accurate treatments now has an error of 0.6618 MeV, with 0.5181 MeV for nuclei with N ≥ 65, both somewhat larger than in the FRDM. But in contrast to the FRDM, it is suitable for studies of fission and has been extensively so applied elsewhere, with FRLDM(2002) constants. The FRLDM(2012) fits 31 fission-barrier heights from 70Se to 252Cf with a root-mean-square deviation of 1.052 MeV.

  2. Strangeness in the baryon ground states

    NASA Astrophysics Data System (ADS)

    Semke, A.; Lutz, M. F. M.

    2012-10-01

    We compute the strangeness content of the baryon octet and decuplet states based on an analysis of recent lattice simulations of the BMW, PACS, LHPC and HSC groups for the pion-mass dependence of the baryon masses. Our results rely on the relativistic chiral Lagrangian and large-Nc sum rule estimates of the counter terms relevant for the baryon masses at N3LO. A partial summation is implied by the use of physical baryon and meson masses in the one-loop contributions to the baryon self energies. A simultaneous description of the lattice results of the BMW, LHPC, PACS and HSC groups is achieved. From a global fit we determine the axial coupling constants F ≃ 0.45 and D ≃ 0.80 in agreement with their values extracted from semi-leptonic decays of the baryons. Moreover, various flavor symmetric limits of baron octet and decuplet masses as obtained by the QCDSF-UKQCD group are recovered. We predict the pion- and strangeness sigma terms and the pion-mass dependence of the octet and decuplet ground states at different strange quark masses.

  3. Ground state energy of N Frenkel excitons

    NASA Astrophysics Data System (ADS)

    Pogosov, W.; Combescot, M.

    2009-03-01

    By using the composite many-body theory for Frenkel excitons we have recently developed, we here derive the ground state energy of N Frenkel excitons in the Born approximation through the Hamiltonian mean value in a state made of N identical Q = 0 excitons. While this quantity reads as a density expansion in the case of Wannier excitons, due to many-body effects induced by fermion exchanges between N composite particles, we show that the Hamiltonian mean value for N Frenkel excitons only contains a first order term in density, just as for elementary bosons. Such a simple result comes from a subtle balance, difficult to guess a priori, between fermion exchanges for two or more Frenkel excitons appearing in Coulomb term and the ones appearing in the N exciton normalization factor - the cancellation being exact within terms in 1/Ns where Ns is the number of atomic sites in the sample. This result could make us naively believe that, due to the tight binding approximation on which Frenkel excitons are based, these excitons are just bare elementary bosons while their composite nature definitely appears at various stages in the precise calculation of the Hamiltonian mean value.

  4. Is the ground state of Yang-Mills theory Coulombic?

    SciTech Connect

    Heinzl, T.; Ilderton, A.; Langfeld, K.; Lavelle, M.; McMullan, D.; Lutz, W.

    2008-08-01

    We study trial states modelling the heavy quark-antiquark ground state in SU(2) Yang-Mills theory. A state describing the flux tube between quarks as a thin string of glue is found to be a poor description of the continuum ground state; the infinitesimal thickness of the string leads to UV artifacts which suppress the overlap with the ground state. Contrastingly, a state which surrounds the quarks with non-Abelian Coulomb fields is found to have a good overlap with the ground state for all charge separations. In fact, the overlap increases as the lattice regulator is removed. This opens up the possibility that the Coulomb state is the true ground state in the continuum limit.

  5. Magnetic ground state of FeSe

    PubMed Central

    Wang, Qisi; Shen, Yao; Pan, Bingying; Zhang, Xiaowen; Ikeuchi, K.; Iida, K.; Christianson, A. D.; Walker, H. C.; Adroja, D. T.; Abdel-Hafiez, M.; Chen, Xiaojia; Chareev, D. A.; Vasiliev, A. N.; Zhao, Jun

    2016-01-01

    Elucidating the nature of the magnetism of a high-temperature superconductor is crucial for establishing its pairing mechanism. The parent compounds of the cuprate and iron-pnictide superconductors exhibit Néel and stripe magnetic order, respectively. However, FeSe, the structurally simplest iron-based superconductor, shows nematic order (Ts=90 K), but not magnetic order in the parent phase, and its magnetic ground state is intensely debated. Here we report inelastic neutron-scattering experiments that reveal both stripe and Néel spin fluctuations over a wide energy range at 110 K. On entering the nematic phase, a substantial amount of spectral weight is transferred from the Néel to the stripe spin fluctuations. Moreover, the total fluctuating magnetic moment of FeSe is ∼60% larger than that in the iron pnictide BaFe2As2. Our results suggest that FeSe is a novel S=1 nematic quantum-disordered paramagnet interpolating between the Néel and stripe magnetic instabilities. PMID:27431986

  6. Magnetic ground state of FeSe.

    PubMed

    Wang, Qisi; Shen, Yao; Pan, Bingying; Zhang, Xiaowen; Ikeuchi, K; Iida, K; Christianson, A D; Walker, H C; Adroja, D T; Abdel-Hafiez, M; Chen, Xiaojia; Chareev, D A; Vasiliev, A N; Zhao, Jun

    2016-01-01

    Elucidating the nature of the magnetism of a high-temperature superconductor is crucial for establishing its pairing mechanism. The parent compounds of the cuprate and iron-pnictide superconductors exhibit Néel and stripe magnetic order, respectively. However, FeSe, the structurally simplest iron-based superconductor, shows nematic order (Ts=90 K), but not magnetic order in the parent phase, and its magnetic ground state is intensely debated. Here we report inelastic neutron-scattering experiments that reveal both stripe and Néel spin fluctuations over a wide energy range at 110 K. On entering the nematic phase, a substantial amount of spectral weight is transferred from the Néel to the stripe spin fluctuations. Moreover, the total fluctuating magnetic moment of FeSe is ∼60% larger than that in the iron pnictide BaFe2As2. Our results suggest that FeSe is a novel S=1 nematic quantum-disordered paramagnet interpolating between the Néel and stripe magnetic instabilities. PMID:27431986

  7. Magnetic ground state of FeSe

    NASA Astrophysics Data System (ADS)

    Wang, Qisi; Shen, Yao; Pan, Bingying; Zhang, Xiaowen; Ikeuchi, K.; Iida, K.; Christianson, A. D.; Walker, H. C.; Adroja, D. T.; Abdel-Hafiez, M.; Chen, Xiaojia; Chareev, D. A.; Vasiliev, A. N.; Zhao, Jun

    2016-07-01

    Elucidating the nature of the magnetism of a high-temperature superconductor is crucial for establishing its pairing mechanism. The parent compounds of the cuprate and iron-pnictide superconductors exhibit Néel and stripe magnetic order, respectively. However, FeSe, the structurally simplest iron-based superconductor, shows nematic order (Ts=90 K), but not magnetic order in the parent phase, and its magnetic ground state is intensely debated. Here we report inelastic neutron-scattering experiments that reveal both stripe and Néel spin fluctuations over a wide energy range at 110 K. On entering the nematic phase, a substantial amount of spectral weight is transferred from the Néel to the stripe spin fluctuations. Moreover, the total fluctuating magnetic moment of FeSe is ~60% larger than that in the iron pnictide BaFe2As2. Our results suggest that FeSe is a novel S=1 nematic quantum-disordered paramagnet interpolating between the Néel and stripe magnetic instabilities.

  8. Neutrino ground state in a dense star

    NASA Astrophysics Data System (ADS)

    Kiers, Ken; Tytgat, Michel H. G.

    1998-05-01

    It has recently been argued that long range forces due to the exchange of massless neutrinos give rise to a very large self-energy in a dense, finite-ranged, weakly charged medium. Such an effect, if real, would destabilize a neutron star. To address this issue we have studied the related problem of a massless neutrino field in the presence of an external, static electroweak potential of finite range. To be precise, we have computed to one loop the exact vacuum energy for the case of a spherical square well potential of depth α and radius R. For small wells, the vacuum energy is reliably determined by a perturbative expansion in the external potential. For large wells, however, the perturbative expansion breaks down. A manifestation of this breakdown is that the vacuum carries a non-zero neutrino charge. The energy and neutrino charge of the ground state are, to a good approximation for large wells, those of a neutrino condensate with chemical potential μ=α. Our results demonstrate explicitly that long-range forces due to the exchange of massless neutrinos do not threaten the stability of neutron stars.

  9. Theoretical Study of Tautomerization Reactions for the Ground and First Excited Electronic States of Adenine

    NASA Technical Reports Server (NTRS)

    Salter, Latasha M.; Chaban, Galina M.; Kwak, Dochan (Technical Monitor)

    2002-01-01

    Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four tautomeric forms are considered, and their energetic order is found to be different on the ground and the excited state potential energy surfaces. Minimum energy reaction paths are obtained for hydrogen atom transfer (tautomerization) reactions in the ground and the lowest excited electronic states. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic states, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. This tautomerization process should become possible in the presence of water or other polar solvent molecules and should play an important role in the photochemistry of adenine.

  10. Ground-State Proton Transfer Kinetics in Green Fluorescent Protein

    PubMed Central

    2015-01-01

    Proton transfer plays an important role in the optical properties of green fluorescent protein (GFP). While much is known about excited-state proton transfer reactions (ESPT) in GFP occurring on ultrafast time scales, comparatively little is understood about the factors governing the rates and pathways of ground-state proton transfer. We have utilized a specific isotopic labeling strategy in combination with one-dimensional 13C nuclear magnetic resonance (NMR) spectroscopy to install and monitor a 13C directly adjacent to the GFP chromophore ionization site. The chemical shift of this probe is highly sensitive to the protonation state of the chromophore, and the resulting spectra reflect the thermodynamics and kinetics of the proton transfer in the NMR line shapes. This information is complemented by time-resolved NMR, fluorescence correlation spectroscopy, and steady-state absorbance and fluorescence measurements to provide a picture of chromophore ionization reactions spanning a wide time domain. Our findings indicate that proton transfer in GFP is described well by a two-site model in which the chromophore is energetically coupled to a secondary site, likely the terminal proton acceptor of ESPT, Glu222. Additionally, experiments on a selection of GFP circular permutants suggest an important role played by the structural dynamics of the seventh β-strand in gating proton transfer from bulk solution to the buried chromophore. PMID:25184668

  11. Interface Representations of Critical Ground States

    NASA Astrophysics Data System (ADS)

    Kondev, Jane

    1995-01-01

    We study the critical properties of the F model, the three-coloring model on the honeycomb lattice, and the four-coloring model on the square lattice, by mapping these models to models of rough interfaces. In particular, we construct operators in a systematic way, which is provided by the interface representation, and we show that their scaling dimensions can be related to the stiffness of the interface. Two types of operators are found, and they correspond to electric and magnetic charges in the Coulomb gas which is related to the interface model by the usual duality transformation. Furthermore, we find that the stiffness of the interface models, and therefore all the critical exponents, can be calculated exactly by considering the contour correlation function which measures the probability that two points on the interface belong to the same contour loop. The exact information about the stiffness also allows us to analyze in detail the conformal field theories (CFT) that represent the scaling limits of the interface models. We find that CFT's associated with the F model, the three -coloring model, and the four-coloring model, have chiral symmetry algebras given by the su(2)_{k=1 }, su(3)_{k=1}, and su(4) _{k=1} Kac-Moody algebras, respectively. The three-coloring and the four coloring-model are ground states of certain antiferromagnetic Potts models, and the behavior of these Potts models at small but finite temperatures is determined by topological defects that can be defined in the associated interface models. In this way we calculate the correlation length and the specific heat of the Potts models, and they are in good agreement with numerical simulations. We also present our Monte-Carlo results for the scaling dimensions of operators in the four-coloring model, and they are in excellent agreement with our analytical results. Finally, we define geometrical exponents for contour loops on self -affine interfaces and calculate their values as a function of the

  12. Triaxiality of the ground states in the 174W

    NASA Astrophysics Data System (ADS)

    Ya, Tu; Chen, Y. S.; Liu, L.; Gao, Z. C.

    2016-05-01

    We have performed calculations for the ground states in 174W by using the projected total energy surface (PTES) calculations. Both the ground state (g.s.) band and its γ band reproduce the experimental data. Further discussion about the triaxiality in 174W has been made by transition quardrupole moment (Qt) and comparing between the PTES and TRS methods.

  13. Shaping Education Policy in the States.

    ERIC Educational Resources Information Center

    Fuhrman, Susan, Ed.; Rosenthal, Alan, Ed.

    This monograph and its companion, "Legislative Education Leadership in the States," portray the contemporary role of state legislators and map the structure of education leadership in terms of both the characteristics of influential legislators and staff and the nature of influence structures in state legislatures. This volume reports the results…

  14. Realization of Ground State Artificial Skyrmion Lattices at Room Temperature

    NASA Astrophysics Data System (ADS)

    Gilbert, Dustin A.; Maranville, Brian B.; Balk, Andrew J.; Kirby, Brian J.; Pierce, Daniel T.; Unguris, John; Borchers, Julie A.; Fischer, Peter; Liu, Kai

    Artificial skyrmion lattices stable at ambient conditions offer a convenient and powerful platform to explore skyrmion physics and topological phenomena and motivates their inclusion in next-generation data and logic devices. In this work we present direct experimental evidence of artificial skyrmion lattices with a stable ground state at room temperature. Our approach is to pattern vortex-state Co nanodots (560 nm diameter) in hexagonal arrays on top of a Co/Pd multilayer with perpendicular magnetic anisotropy; the skyrmion state is prepared using a specific magnetic field sequence. Ion irradiation has been employed to suppress PMA in the underlayer and allow imprinting of the vortex structure from the nanodots to form skyrmion lattices, as revealed by polarized neutron reflectometry. Circularity control is realized through Co dot shape asymmetry, and confirmed by microscopy and FORC magnetometry. The vortex polarity is set during the field sequence and confirmed by magnetometry. Spin-transport studies further demonstrate a sensitivity to the skyrmion spin texture.Work supported by NSF (DMR-1008791, ECCS-1232275 and DMR-1543582)

  15. Ground state energy and width of {sup 7}He from {sup 8}Li proton knockout

    SciTech Connect

    Denby, D. H.; DeYoung, P. A.; Hall, C. C.; Baumann, T.; Bazin, D.; Spyrou, A.; Breitbach, E.; Howes, R.; Brown, J.; Frank, N.; Gade, A.; Mosby, S. M.; Peters, W. A.; Thoennessen, M.; Hinnefeld, J.; Hoffman, C. R.; Jenson, R. A.; Luther, B.; Olson, C. W.; Schiller, A.

    2008-10-15

    The ground state energy and width of {sup 7}He has been measured with the Modular Neutron Array (MoNA) and superconducting dipole Sweeper magnet experimental setup at the National Superconducting Cyclotron Laboratory. {sup 7}He was produced by proton knockout from a secondary {sup 8}Li beam. The measured decay energy spectrum is compared to simulations based on Breit-Wigner line shape with an energy-dependent width for the resonant state. The energy of the ground state is found to be 400(10) keV with a full-width at half-maximum of 125({sub -15}{sup +40}) keV.

  16. Ray: Shaping Science Affairs at State

    ERIC Educational Resources Information Center

    Zerkel, Fred H.

    1975-01-01

    Particular concern at the slow pace with which the United States is making use of domestic energy technology, specifically nuclear power, is discussed with specific emphasis on a liquid metal fast breeder demonstration plant under consideration. (EB)

  17. Two-coordinate, quasi-two-coordinate, and distorted three coordinate, T-shaped chromium(II) amido complexes: unusual effects of coordination geometry on the lowering of ground state magnetic moments.

    PubMed

    Boynton, Jessica N; Merrill, W Alexander; Reiff, William M; Fettinger, James C; Power, Philip P

    2012-03-01

    The synthesis and characterization of the mononuclear chromium(II) terphenyl substituted primary amido-complexes Cr{N(H)Ar(Pr(i)(6))}(2) (Ar(Pr(i)(6)) = C(6)H(3)-2,6-(C(6)H(2)-2,4,6-(i)Pr(3))(2) (1), Cr{N(H)Ar(Pr(i)(4))}(2) (Ar(Pr(i)(4)) = C(6)H(3)-2,6-(C(6)H(3)-2,6-(i)Pr(2))(2) (2), Cr{N(H)Ar(Me(6))}(2) (Ar(Me(6)) = C(6)H(3)-2,6-(C(6)H(2)-2,4,6-Me(3))(2) (4), and the Lewis base adduct Cr{N(H)Ar(Me(6))}(2)(THF) (3) are described. Reaction of the terphenyl primary amido lithium derivatives Li{N(H)Ar(Pr(i)(6))} and Li{N(H)Ar(Pr(i)(4))} with CrCl(2)(THF)(2) in a 2:1 ratio afforded complexes 1 and 2, which are extremely rare examples of two coordinate chromium and the first stable chromium amides to have linear coordinated high-spin Cr(2+). The reaction of the less crowded terphenyl primary amido lithium salt Li{N(H)Ar(Me(6))} with CrCl(2)(THF)(2) gave the tetrahydrofuran (THF) complex 3, which has a distorted T-shaped metal coordination. Desolvation of 3 at about 70 °C gave 4 which has a formally two-coordinate chromous ion with a very strongly bent core geometry (N-Cr-N= 121.49(13)°) with secondary Cr--C(aryl ring) interactions of 2.338(4) Å to the ligand. Magnetometry studies showed that the two linear chromium species 1 and 2 have ambient temperature magnetic moments of about 4.20 μ(B) and 4.33 μ(B) which are lower than the spin-only value of 4.90 μ(B) typically observed for six coordinate Cr(2+). The bent complex 4 has a similar room temperature magnetic moment of about 4.36 μ(B). These studies suggest that the two-coordinate chromium complexes have significant spin-orbit coupling effects which lead to moments lower than the spin only value of 4.90 μ(B) because λ (the spin orbit coupling parameter) is positive. The three-coordinated complex 3 had a magnetic moment of 3.79 μ(B). PMID:22356657

  18. Ensemble Theory for Stealthy Hyperuniform Disordered Ground States

    NASA Astrophysics Data System (ADS)

    Torquato, Salvatore

    Disordered hyperuniform many-particle systems have been receiving recent attention because they are distinguishable exotic states of matter poised between a crystal and liquid that are endowed with novel thermodynamic and physical properties. It has been shown numerically that systems of particles interacting with ``stealthy'' bounded, long-ranged pair potentials (similar to Friedel oscillations) have classical ground states that are, counterintuitively, disordered, hyperuniform and highly degenerate. The task of formulating an ensemble theory that yields analytical predictions for the structural characteristics and other properties of stealthy degenerate ground states in d-dimensional Euclidean space is highly nontrivial because the dimensionality of the configuration space depends on the number density and there is a multitude of ways of sampling the ground-state manifold, each with its own probability measure for finding a particular ground-state configuration. A new type of statistical-mechanical theory had to be invented to characterize these exotic states of matter. I report on some initial progress that we have made in this direction. We show that stealthy disordered ground states behave like ''pseudo''-equilibrium hard-sphere systems in Fourier space. Our theoretical predictions for the structure and thermodynamic properties of the stealthy disordered ground states and associated excited states are in excellent agreement with computer simulations across dimensions.

  19. Ground states of stealthy hyperuniform potentials: I. Entropically favored configurations

    NASA Astrophysics Data System (ADS)

    Zhang, G.; Stillinger, F. H.; Torquato, S.

    2015-08-01

    Systems of particles interacting with "stealthy" pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to sample the infinitely degenerate ground states used energy minimization techniques, introducing algorithmic dependence that is artificial in nature. Recently, an ensemble theory of stealthy hyperuniform ground states was formulated to predict the structure and thermodynamics that was shown to be in excellent agreement with corresponding computer simulation results in the canonical ensemble (in the zero-temperature limit). In this paper, we provide details and justifications of the simulation procedure, which involves performing molecular dynamics simulations at sufficiently low temperatures and minimizing the energy of the snapshots for both the high-density disordered regime, where the theory applies, as well as lower densities. We also use numerical simulations to extend our study to the lower-density regime. We report results for the pair correlation functions, structure factors, and Voronoi cell statistics. In the high-density regime, we verify the theoretical ansatz that stealthy disordered ground states behave like "pseudo" disordered equilibrium hard-sphere systems in Fourier space. The pair statistics obey certain exact integral conditions with very high accuracy. These results show that as the density decreases from the high-density limit, the disordered ground states in the canonical ensemble are characterized by an increasing degree of short-range order and eventually the system undergoes a phase transition to crystalline ground states. In the crystalline regime (low densities), there exist aperiodic structures that are part of the ground-state manifold but yet are not entropically favored. We also provide numerical evidence suggesting that different forms of stealthy pair potentials produce the same ground-state ensemble in the zero

  20. Ground state and constrained domain walls in Gd /Fe multilayers

    NASA Astrophysics Data System (ADS)

    Van Aken, Bas B.; Prieto, José L.; Mathur, Neil D.

    2005-03-01

    The magnetic ground state of antiferromagnetically coupled Gd /Fe multilayers and the evolution of in-plane domain walls is modeled with micromagnetics. The twisted state is characterized by a rapid decrease of the interface angle with increasing magnetic field. We found that for certain ratios MFe:MGd, the twisted state is already present at low fields. However, the magnetic ground state is not only determined by the ratio MFe:MGd but also by the thicknesses of the layers; that is by the total moments of the layer. The dependence of the magnetic ground state is explained by the amount of overlap of the domain walls at the interface. Thicker layers suppress the Fe-aligned and the Gd-aligned state in favor of the twisted state. On the other hand, ultrathin layers exclude the twisted state, since wider domain walls cannot form in these ultrathin layers.

  1. What is the Shape of the Initial State?

    NASA Astrophysics Data System (ADS)

    Agarwal, Nishant; Holman, R.; Tolley, Andrew J.

    2013-07-01

    We argue that a plausible operational definition for an initial state of the universe is the initial quantum state of the curvature perturbations generated during inflation. We provide a parametrization of this state and generalize the standard in-in formalism to incorporate the structures in this state into the computation of correlators of the perturbations. Measurements of these correlators using both the cosmic microwave background as well as large scale structure probe different structures in the initial state, as they give rise to bi- and tri-spectra peaked on different shapes of triangles and quadrilaterals in momentum space. In essence, the shapes implied by the correlators feed directly into information about the shape of the initial state and what physics could have preceded inflation to set this state up.

  2. The ground-state average structure of methyl isocyanide

    NASA Astrophysics Data System (ADS)

    Mackenzie, M. W.; Duncan, J. L.

    The use of recently determined highly precise inertial data for various isotopic modifications of methyl isocyanide has enabled the ground-state average, or rz, structure to be determined to within very narrow limits. Harmonic corrections to ground-state rotational constants have been calculated using a high-quality, experimentally determined harmonic force field. The derived zero-point inertial constants are sufficiently accurate to enable changes in the CH bond length and NCH bond angle on deuteration to be determined. The present rz structure determination is believed to be a physically realistic estimate of the ground-state average geometry of methyl isocyanide.

  3. The ground-state average structure of methyl isocyanide

    NASA Astrophysics Data System (ADS)

    Mackenzie, M. W.; Duncan, J. L.

    1982-11-01

    The use of recently determined highly precise inertial data for various isotopic modifications of methyl isocyanide has enabled the ground-state average, or rz, structure to be determined to within very narrow limits. Harmonic corrections to ground-state rotational constants have been calculated using a high-quality, experimentally determined harmonic force field. The derived zero-point inertial constants are sufficiently accurate to enable changes in the CH bond length and NCH bond angle on deuteration to be determined. The present rz structure determination is believed to be a physically realistic estimate of the ground-state average geometry of methyl isocyanide.

  4. Analysis of ground state in random bipartite matching

    NASA Astrophysics Data System (ADS)

    Shi, Gui-Yuan; Kong, Yi-Xiu; Liao, Hao; Zhang, Yi-Cheng

    2016-02-01

    Bipartite matching problems emerge in many human social phenomena. In this paper, we study the ground state of the Gale-Shapley model, which is the most popular bipartite matching model. We apply the Kuhn-Munkres algorithm to compute the numerical ground state of the model. For the first time, we obtain the number of blocking pairs which is a measure of the system instability. We also show that the number of blocking pairs formed by each person follows a geometric distribution. Furthermore, we study how the connectivity in the bipartite matching problems influences the instability of the ground state.

  5. Comments on variational ground states for lattice hamiltonians

    NASA Astrophysics Data System (ADS)

    Anishetty, Ramesh; Bovier, Anton

    1984-02-01

    We find that the nearest neighbour Jastrow type ground state cannot yield a Lorentz invariant vacuum in the continuum. This is explicitly demonstrated for the chiral model in 1+1 dimensions. The Jastrow ground state is found to be an exact ground state of a new hamiltonian which differs from the original by seemingly ``irrelevant terms'' at the continuum. However these terms prevent the restoration of Lorentz invariance. Finally we speculate that the new hamiltonian can be a non-relativistic approximation with galilean invariance.

  6. Slinky Mechanics: Static Shapes and Unstable States

    NASA Astrophysics Data System (ADS)

    Holmes, Douglas; Borum, Andy; Moore, Billy; Plaut, Raymond; Dillard, David

    2014-03-01

    The floppy nature of a tumbling Slinky has captivated children and adults alike for over half a century. Highly flexible, the spring will walk down stairs, turn over in your hands, and-much to the chagrin of children everywhere-become easily entangled. The Slinky is an educational tool for demonstrating standing waves, and a structural inspiration due to its ability to extend to many times beyond its initial length without imparting plastic strain on the material. In this work, we provide a mechanical model that captures the static equilibrium configurations of the Slinky in terms of its geometric and material properties. We present both continuous and discrete models to capture a Slinky's static equilibria and unstable transitions. We compare these with experimental results obtained for the Slinky's static equilibrium shapes. We emphasize the importance of modeling coil contact, and determine the critical criteria for the Slinky to topple over in terms of a tilt angle, and the vertical displacement of one bale of coils. Finally, we provide a general description of highly flexible helical springs by considering the nondimensional potential energy of the spring, which characterizes the ``Slinkiness'' of a spring.

  7. Antifreeze acceptability for ground-coupled heat pump ground loops in the United States

    SciTech Connect

    Den Braven, K.R.

    1998-10-01

    When designing and installing closed-loop ground-coupled heat pumps systems, it is necessary to be aware of applicable environmental regulations. Within the United States, nearly half of the states have regulations specifying or restricting the use of particular antifreezes or other fluids within the ground loop of a ground-coupled heat pump system. A number of other states have regulations pending. While all of these regulations are based on the need to preserve groundwater and/or aquifer quality, the list of acceptable antifreezes varies among those states with specified fluids. Typical antifreezes in use include ethylene glycol, propylene glycol, brines, alcohols, and potassium acetate. Each of these has its benefits and drawbacks. The status of the regulations has been determined for all of the states. An overview of the regulations is presented in this paper, along with a summary of the states` concerns.

  8. Dimerized ground state in the one-dimensional spin-1 boson Hubbard model

    SciTech Connect

    Apaja, Vesa; Syljuaasen, Olav F.

    2006-09-15

    We have investigated the one-dimensional spin-1 boson Hubbard model with antiferromagnetic interactions using quantum Monte Carlo methods. We obtain the shapes of the two lowest Mott lobes and show that the ground state within the lowest Mott lobe is dimerized. The results presented here are relevant for optically trapped antiferromagnetic spin-1 bosons. An experimental signature of the dimerized ground state is modulated Bragg peaks in the noise distribution of the atomic cloud obtained after switching off the trap. These Bragg peaks are located at wave vectors corresponding to half-integer multiples of the reciprocal wave vector of the optical lattice.

  9. Approximating the ground state of gapped quantum spin systems

    SciTech Connect

    Michalakis, Spyridon; Hamza, Eman; Nachtergaele, Bruno; Sims, Robert

    2009-01-01

    We consider quantum spin systems defined on finite sets V equipped with a metric. In typical examples, V is a large, but finite subset of Z{sup d}. For finite range Hamiltonians with uniformly bounded interaction terms and a unique, gapped ground state, we demonstrate a locality property of the corresponding ground state projector. In such systems, this ground state projector can be approximated by the product of observables with quantifiable supports. In fact, given any subset {chi} {contained_in} V the ground state projector can be approximated by the product of two projections, one supported on {chi} and one supported on {chi}{sup c}, and a bounded observable supported on a boundary region in such a way that as the boundary region increases, the approximation becomes better. Such an approximation was useful in proving an area law in one dimension, and this result corresponds to a multi-dimensional analogue.

  10. Shape vibration and quasiparticle excitations in the lowest 0+ excited state in erbium isotopes

    NASA Astrophysics Data System (ADS)

    Chen, Fang-Qi; Egido, J. Luis

    2016-06-01

    The ground and first excited 0+ states of the -172Er156 isotopes are analyzed in the framework of the generator coordinate method. The shape parameter β is used to generate wave functions with different deformations which together with the two-quasiparticle states built on them provide a set of states. An angular momentum and particle number projection of the latter spawn the basis states of the generator coordinate method. With this ansatz and using the separable pairing plus quadrupole interaction we obtain a good agreement with the experimental spectra and E 2 transition rates up to moderate spin values. The structure of the wave functions suggests that the first excited 0+ states in the soft Er isotopes are dominated by shape fluctuations, while in the well deformed Er isotopes the two-quasiparticle states are more relevant. In between, both degrees of freedom are necessary.

  11. Ground-state properties of the periodic Anderson model

    NASA Technical Reports Server (NTRS)

    Blankenbecler, R.; Fulco, J. R.; Gill, W.; Scalapino, D. J.

    1987-01-01

    The ground-state energy, hybridization matrix element, local moment, and spin-density correlations of a one-dimensional, finite-chain, periodic, symmetric Anderson model are obtained by numerical simulations and compared with perturbation theory and strong-coupling results. It is found that the local f-electron spins are compensated by correlation with other f-electrons as well as band electrons leading to a nonmagnetic ground state.

  12. Possible ground-state octupole deformation in /sup 229/Pa

    SciTech Connect

    Ahmad, I.; Gindler, J.E.; Betts, R.R.; Chasman, R.R.; Friedman, A.M.

    1982-12-13

    Evidence is presented for the occurrence of a (5/2)/sup + -/ parity doublet as the ground state of /sup 229/Pa, in agreement with a previous theoretical prediction. The doublet splitting energy is measured to be 0.22 +- 0.05 keV. The relation of this doublet to ground-state octupole deformation is discussed. .ID LV2109 .PG 1762 1764

  13. Theory of ground state factorization in quantum cooperative systems.

    PubMed

    Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio

    2008-05-16

    We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows us to determine rigorously the existence, location, and exact form of separable ground states in a large variety of, generally nonexactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range. PMID:18518481

  14. Ground states of baryoleptonic Q-balls in supersymmetric models

    SciTech Connect

    Shoemaker, Ian M.; Kusenko, Alexander

    2008-10-01

    In supersymmetric generalizations of the standard model, all stable Q-balls are associated with some flat directions. We show that, if the flat direction has both the baryon number and the lepton number, the scalar field inside the Q-ball can deviate slightly from the flat direction in the ground state. We identify the true ground states of such nontopological solitons, including the electrically neutral and electrically charged Q-balls.

  15. An investigation of drag reduction on box-shaped ground vehicles

    NASA Technical Reports Server (NTRS)

    Muirhead, V. U.

    1976-01-01

    A wind tunnel investigation was conducted to determine the reduction in drag which could be obtained by making various configuration changes to a box-shaped ground vehicle. Tests were conducted at yaw (relative wind) angles of 0, 5, 10, 20, and 30 degrees and Reynolds numbers of 300,000 to 850,000. The power required to overcome the aerodynamic drag was reduced by a maximum of 73% for a head wind for the best configuration relative to the smooth bottom box-shape, or 75% relative to the rough bottom box-shape. The reduction for a 20 MPH wind at 30 deg to the vehicle path was, respectively, 77% and 79%.

  16. Toward Triplet Ground State NaLi Molecules

    NASA Astrophysics Data System (ADS)

    Ebadi, Sepehr; Jamison, Alan; Rvachov, Timur; Jing, Li; Son, Hyungmok; Jiang, Yijun; Zwierlein, Martin; Ketterle, Wolfgang

    2016-05-01

    The NaLi molecule is expected to have a long lifetime in the triplet ground-state due to its fermionic nature, large rotational constant, and weak spin-orbit coupling. The triplet state has both electric and magnetic dipole moments, affording unique opportunities in quantum simulation and ultracold chemistry. We have mapped the excited state NaLi triplet potential by means of photoassociation spectroscopy. We report on this and our further progress toward the creation of the triplet ground-state molecules using STIRAP. NSF, ARO-MURI, Samsung, NSERC.

  17. Toward Triplet Ground State LiNa Molecules

    NASA Astrophysics Data System (ADS)

    Jamison, Alan; Rvachov, Timur; Jing, Li; Jiang, Yijun; Zwierlein, Martin; Ketterle, Wolfgang

    2015-05-01

    We present progress toward creation of ultracold ground-state triplet LiNa molecules. This molecule is expected to have a long lifetime in the triplet ground state due to its fermionic nature, large rotational constant, and weak spin-orbit coupling. The triplet state has both electric and magnetic dipole moments, affording unique opportunities in quantum simulation and ultracold chemistry. Our progress includes the first observation of triplet excited states in this molecule, achieved through photoassociation of ultracold mixtures of 6-Li and Na. We compare experimental results to a variety of near-dissociation expansions as well as ab initio potentials.

  18. Magnetization ground state and reversal modes of magnetic nanotori

    NASA Astrophysics Data System (ADS)

    Vojkovic, Smiljan; Nunez, Alvaro S.; Altbir, Dora; Carvalho-Santos, Vagson L.

    2016-07-01

    In this work, and by means of micromagnetic simulations, we study the magnetic properties of toroidal nanomagnets. The magnetization ground state for different values of the aspect ratio between the toroidal and polar radii of the nanotorus has been obtained. Besides, we have shown that the vortex and the in-plane single domain states can appear as ground states for different ranges of the aspect ratio, while a single domain state with an out-of-plane magnetization is not observed. The hysteresis curves are also obtained, evidencing the existence of two reversal modes depending on the geometry: a vortex mode and a coherent rotation. A comparison between toroidal and cylindrical nanoparticles has been performed evidencing that nanotori can accommodate a vortex as the ground state for smaller volume than cylindrical nanorings.

  19. Nature of ground and electronic excited states of higher acenes.

    PubMed

    Yang, Yang; Davidson, Ernest R; Yang, Weitao

    2016-08-30

    Higher acenes have drawn much attention as promising organic semiconductors with versatile electronic properties. However, the nature of their ground state and electronic excited states is still not fully clear. Their unusual chemical reactivity and instability are the main obstacles for experimental studies, and the potentially prominent diradical character, which might require a multireference description in such large systems, hinders theoretical investigations. Here, we provide a detailed answer with the particle-particle random-phase approximation calculation. The (1)Ag ground states of acenes up to decacene are on the closed-shell side of the diradical continuum, whereas the ground state of undecacene and dodecacene tilts more to the open-shell side with a growing polyradical character. The ground state of all acenes has covalent nature with respect to both short and long axes. The lowest triplet state (3)B2u is always above the singlet ground state even though the energy gap could be vanishingly small in the polyacene limit. The bright singlet excited state (1)B2u is a zwitterionic state to the short axis. The excited (1)Ag state gradually switches from a double-excitation state to another zwitterionic state to the short axis, but always keeps its covalent nature to the long axis. An energy crossing between the (1)B2u and excited (1)Ag states happens between hexacene and heptacene. Further energetic consideration suggests that higher acenes are likely to undergo singlet fission with a low photovoltaic efficiency; however, the efficiency might be improved if a singlet fission into multiple triplets could be achieved. PMID:27528690

  20. Ground-Water Availability in the United States

    USGS Publications Warehouse

    Reilly, Thomas E.; Dennehy, Kevin F.; Alley, William M.; Cunningham, William L.

    2008-01-01

    Ground water is among the Nation's most important natural resources. It provides half our drinking water and is essential to the vitality of agriculture and industry, as well as to the health of rivers, wetlands, and estuaries throughout the country. Large-scale development of ground-water resources with accompanying declines in ground-water levels and other effects of pumping has led to concerns about the future availability of ground water to meet domestic, agricultural, industrial, and environmental needs. The challenges in determining ground-water availability are many. This report examines what is known about the Nation's ground-water availability and outlines a program of study by the U.S. Geological Survey Ground-Water Resources Program to improve our understanding of ground-water availability in major aquifers across the Nation. The approach is designed to provide useful regional information for State and local agencies who manage ground-water resources, while providing the building blocks for a national assessment. The report is written for a wide audience interested or involved in the management, protection, and sustainable use of the Nation's water resources.

  1. Ensemble Theory for Stealthy Hyperuniform Disordered Ground States

    NASA Astrophysics Data System (ADS)

    Torquato, S.; Zhang, G.; Stillinger, F. H.

    2015-04-01

    It has been shown numerically that systems of particles interacting with isotropic "stealthy" bounded long-ranged pair potentials (similar to Friedel oscillations) have classical ground states that are (counterintuitively) disordered, hyperuniform, and highly degenerate. Disordered hyperuniform systems have received attention recently because they are distinguishable exotic states of matter poised between a crystal and liquid that are endowed with novel thermodynamic and physical properties. The task of formulating an ensemble theory that yields analytical predictions for the structural characteristics and other properties of stealthy degenerate ground states in d -dimensional Euclidean space Rd is highly nontrivial because the dimensionality of the configuration space depends on the number density ρ and there is a multitude of ways of sampling the ground-state manifold, each with its own probability measure for finding a particular ground-state configuration. The purpose of this paper is to take some initial steps in this direction. Specifically, we derive general exact relations for thermodynamic properties (energy, pressure, and isothermal compressibility) that apply to any ground-state ensemble as a function of ρ in any d , and we show how disordered degenerate ground states arise as part of the ground-state manifold. We also derive exact integral conditions that both the pair correlation function g2(r ) and structure factor S (k ) must obey for any d . We then specialize our results to the canonical ensemble (in the zero-temperature limit) by exploiting an ansatz that stealthy states behave remarkably like "pseudo"-equilibrium hard-sphere systems in Fourier space. Our theoretical predictions for g2(r ) and S (k ) are in excellent agreement with computer simulations across the first three space dimensions. These results are used to obtain order metrics, local number variance, and nearest-neighbor functions across dimensions. We also derive accurate analytical

  2. NiTi shape memory via solid-state nudge-elastic band

    NASA Astrophysics Data System (ADS)

    Zarkevich, Nikolai A.; Johnson, Duane D.

    2014-03-01

    We determine atomic mechanisms of the shape memory effect in NiTi from a generalized solid-state nudge elastic band (SSNEB) method. We consider transformation between the austenite B2 and the ground-state base-centered orthorhombic (BCO) structures. In these pathways we obtain the R-phase and discuss its structure. We confirm that BCO is the ground state, and determine the pathways to BCO martensite, which dictate transition barriers. While ideal B2 is unstable, we find a B2-like NiTi high-temperature solid phase with significant local displacement disorder, which is B2 on average. This B2-like phase appears to be entropically stabilized. This work is supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering. Ames Laboratory is operated for the U.S. DOE by Iowa State University under contract DE-AC02-07CH11358.

  3. Solving quantum ground-state problems with nuclear magnetic resonance.

    PubMed

    Li, Zhaokai; Yung, Man-Hong; Chen, Hongwei; Lu, Dawei; Whitfield, James D; Peng, Xinhua; Aspuru-Guzik, Alán; Du, Jiangfeng

    2011-01-01

    Quantum ground-state problems are computationally hard problems for general many-body Hamiltonians; there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating the ground state is available, as often happens for many problems in physics and chemistry, a quantum computer could employ this trial wavefunction to project the ground state by means of the phase estimation algorithm (PEA). We performed an experimental realization of this idea by implementing a variational-wavefunction approach to solve the ground-state problem of the Heisenberg spin model with an NMR quantum simulator. Our iterative phase estimation procedure yields a high accuracy for the eigenenergies (to the 10⁻⁵ decimal digit). The ground-state fidelity was distilled to be more than 80%, and the singlet-to-triplet switching near the critical field is reliably captured. This result shows that quantum simulators can better leverage classical trial wave functions than classical computers. PMID:22355607

  4. A below-ground herbivore shapes root defensive chemistry in natural plant populations.

    PubMed

    Huber, Meret; Bont, Zoe; Fricke, Julia; Brillatz, Théo; Aziz, Zohra; Gershenzon, Jonathan; Erb, Matthias

    2016-03-30

    Plants display extensive intraspecific variation in secondary metabolites. However, the selective forces shaping this diversity remain often unknown, especially below ground. Using Taraxacum officinale and its major native insect root herbivore Melolontha melolontha, we tested whether below-ground herbivores drive intraspecific variation in root secondary metabolites. We found that high M. melolontha infestation levels over recent decades are associated with high concentrations of major root latex secondary metabolites across 21 central European T. officinale field populations. By cultivating offspring of these populations, we show that both heritable variation and phenotypic plasticity contribute to the observed differences. Furthermore, we demonstrate that the production of the sesquiterpene lactone taraxinic acid β-D-glucopyranosyl ester (TA-G) is costly in the absence, but beneficial in the presence of M. melolontha, resulting in divergent selection of TA-G. Our results highlight the role of soil-dwelling insects for the evolution of plant defences in nature. PMID:27009228

  5. Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters.

    PubMed

    Souza, T X R; Macedo, C A

    2016-01-01

    In this study, the ground state energies of face-centered cubic Hubbard clusters are analyzed using the Lanczos method. Examination of the ground state energy as a function of the number of particle per site n showed an energy minimum for face-centered cubic structures. This energy minimum decreased in n with increasing coulombic interaction parameter U. We found that the ground state energy had a minimum at n = 0.6, when U = 3W, where W denotes the non-interacting energy bandwidth and the face-centered cubic structure was ferromagnetic. These results, when compared with the properties of nickel, shows strong similarity with other finite temperature analyses in the literature and supports the Hirsh's conjecture that the interatomic direct exchange interaction dominates in driving the system into a ferromagnetic phase. PMID:27583653

  6. Phase diagram of the ground states of DNA condensates.

    PubMed

    Hoang, Trinh X; Trinh, Hoa Lan; Giacometti, Achille; Podgornik, Rudolf; Banavar, Jayanth R; Maritan, Amos

    2015-12-01

    The phase diagram of the ground states of DNA in a bad solvent is studied for a semiflexible polymer model with a generalized local elastic bending potential characterized by a nonlinearity parameter x and effective self-attraction promoting compaction. x=1 corresponds to the wormlike chain model. Surprisingly, the phase diagram as well as the transition lines between the ground states are found to be a function of x. The model provides a simple explanation for the results of prior experimental and computational studies and makes predictions for the specific geometries of the ground states. The results underscore the impact of the form of the microscopic bending energy at macroscopic observable scales. PMID:26764619

  7. Estimation of beryllium ground state energy by Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Kabir, K. M. Ariful; Halder, Amal

    2015-05-01

    Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.

  8. Probing quantum frustrated systems via factorization of the ground state.

    PubMed

    Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio

    2010-05-21

    The existence of definite orders in frustrated quantum systems is related rigorously to the occurrence of fully factorized ground states below a threshold value of the frustration. Ground-state separability thus provides a natural measure of frustration: strongly frustrated systems are those that cannot accommodate for classical-like solutions. The exact form of the factorized ground states and the critical frustration are determined for various classes of nonexactly solvable spin models with different spatial ranges of the interactions. For weak frustration, the existence of disentangling transitions determines the range of applicability of mean-field descriptions in biological and physical problems such as stochastic gene expression and the stability of long-period modulated structures. PMID:20867055

  9. Estimation of beryllium ground state energy by Monte Carlo simulation

    SciTech Connect

    Kabir, K. M. Ariful; Halder, Amal

    2015-05-15

    Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.

  10. Improved fair sampling of ground states in Ising spin glasses

    NASA Astrophysics Data System (ADS)

    Katzgraber, Helmut G.; Zhu, Zheng; Ochoa, Andrew J.

    2015-03-01

    Verifying that an optimization approach can sample all solutions that minimize a Hamiltonian is a stringent test for any newly-developed algorithm. While most solvers easily compute the minimum of a cost function for small to moderate input sizes, equiprobable sampling of all ground-state configurations (within Poissonian fluctuations) is much harder to obtain. Most notably, methods such as transverse-field quantum annealing fail in passing this test for certain highly-degenerate problems. Here we present an attempt to sample ground states for Ising spin glasses based on a combination of low-temperature parallel tempering Monte Carlo combined with the cluster algorithm by Houdayer. Because the latter is rejection free and obeys details balance, the ground-state manifold is efficiently sampled. We illustrate the approach for Ising spin glasses on the D-Wave Two quantum annealer topology, known as the Chimera graph, as well as two-dimensional Ising spin glasses.

  11. Drag reductions obtained by modifying a box-shaped ground vehicle

    NASA Technical Reports Server (NTRS)

    Saltzman, E. J.; Meyer, R. R., Jr.; Lux, D. P.

    1974-01-01

    A box-shaped ground vehicle was used to simulate the aerodynamic drag of high volume transports, that is, delivery vans, trucks, or motor homes. The coast-down technique was used to define the drag of the original vehicle, having all square corners, and several modifications of the vehicle. Test velocities ranged up to 65 miles per hour, which provided maximum Reynolds numbers of 1 times 10 to the 7th power based on vehicle length. One combination of modifications produced a reduction in aerodynamic drag of 61 percent as compared with the original square-cornered vehicle.

  12. Ground state alignment as a tracer of interplanetary magnetic field

    NASA Astrophysics Data System (ADS)

    Yan, H.

    2012-12-01

    We demonstrate a new way of studying interplanetary magnetic field -- spectropolarimetry based on ground state alignment. Ground state alignment is a new promising way of sub-gausian magnetic fields in radiation-dominated environment. The polarization of spectral lines that are pumped by the anisotropic radiation from the sun is influenced by the magnetic alignment, which happens for sub-gausian magnetic field. As a result, the linear polarization becomes an excellent tracer of the embedded magnetic field. The method is illustrated by our synthetic obser- vation of the Jupiter's Io and comet Halley. A uniform density distribution of Na was considered and polar- ization at each point was then constructed. Both spa- tial and temporal variations of turbulent magnetic field can be traced with this technique as well. Instead of sending thousands of space probes, ground state alignment allows magnetic mapping with any ground telescope facilities equipped with spectrometer and polarimeter. For remote regions like the the boundary of interstellar medium, ground state alignment provides a unique diagnostics of magnetic field, which is crucial for understanding the physical processes such as the IBEX ribbons.

  13. Ground and Excited State Spectra of a Quantum Dot

    NASA Astrophysics Data System (ADS)

    Stewart, D. R.; Sprinzak, D.; Patel, S. R.; Marcus, C. M.; Duruoz, C. I.; Harris, J. S.

    1998-03-01

    We present linear and nonlinear magnetoconductance measurements of the ground and excited state spectra for successive electron occupancy in a gate defined lateral quantum dot. Previous measurementsfootnote D.R. Stewart, D. Sprinzak, C.M. Marcus, C.I. Duruoz and J.S. Harris Jr., Science 278, (1997). showed a direct correlation between the mth excited state of the N-electron system and the ground state of the (N+m)-electron system for m up to 4, consistent to a large degree with a single-particle picture. Here we report quantitative deviations of the excited state spectra from the spectrum of ground state magnetoconductances, attributed to many-body interactions in the finite system of N ~200 electrons. We also describe the behaviour of anticrossings in the ground state magnetoconductances. We acknowledge the support of JSEP (DAAH04-94-G-0058), ARO (DAAH04-95-1-0331), ONR-YIP (N00014-94-1-0622) and the NSF-PECASE program. D.S. acknowledges the support of MINERVA grant.

  14. Shape memory alloys for astronomical instrumentation: space and ground-based applications

    NASA Astrophysics Data System (ADS)

    Riva, M.; Rigamonti, D.; Zanetti, F.; Passaretti, F.; Villa, E.; Zerbi, F. M.

    2012-09-01

    This paper wants to illustrate possible applications of Shape Memory Alloy (SMA) as functional devices for space and ground based application in Instrumentations for Astronomy. Thermal activated Shape Memory Alloys are materials able to recover their original shape, after an external deformation, if heated above a characteristic temperature. If the recovery of the shape is completely or partially prevented by the presence of constraints, the material can generate recovery stress. Thanks to this feature, these materials can be positively exploited in Smart Structures if properly embedded into host materials. Some technological processes developed for an ecient use of SMA-based actuators embedded in smart structures tailored to astronomical instrumentation will be presented here. Some possible modeling approaches of the actuators behavior will be addressed taking into account trade- offs between detailed analysis and overall performance prediction as a function of the computational time. The Material characterization procedure adopted for the constitutive laws implementation will be described as well. Deformable composite mirrors,1 opto-mechanical mounting with superelastic kinematic behavior and damping of launch loads onto optical element2 are feasible applications that will be deeply investigated in this paper.

  15. Two-electron photoionization of ground-state lithium

    SciTech Connect

    Kheifets, A. S.; Fursa, D. V.; Bray, I.

    2009-12-15

    We apply the convergent close-coupling (CCC) formalism to single-photon two-electron ionization of the lithium atom in its ground state. We treat this reaction as single-electron photon absorption followed by inelastic scattering of the photoelectron on a heliumlike Li{sup +} ion. The latter scattering process can be described accurately within the CCC formalism. We obtain integrated cross sections of single photoionization leading to the ground and various excited states of the Li{sup +} ion as well as double photoionization extending continuously from the threshold to the asymptotic limit of infinite photon energy. Comparison with available experimental and theoretical data validates the CCC model.

  16. Extensive ground state entropy in supersymmetric lattice models

    SciTech Connect

    Eerten, Hendrik van

    2005-12-15

    We present the result of calculations of the Witten index for a supersymmetric lattice model on lattices of various type and size. Because the model remains supersymmetric at finite lattice size, the Witten index can be calculated using row-to-row transfer matrices and the calculations are similar to calculations of the partition function at negative activity -1. The Witten index provides a lower bound on the number of ground states. We find strong numerical evidence that the Witten index grows exponentially with the number of sites of the lattice, implying that the model has extensive entropy in the ground state.

  17. Constrained Path Quantum Monte Carlo Method for Fermion Ground States

    NASA Astrophysics Data System (ADS)

    Zhang, Shiwei; Carlson, J.; Gubernatis, J. E.

    1995-05-01

    We propose a new quantum Monte Carlo algorithm to compute fermion ground-state properties. The ground state is projected from an initial wave function by a branching random walk in an over-complete basis space of Slater determinants. By constraining the determinants according to a trial wave function \\|ΨT>, we remove the exponential decay of signal-to-noise ratio characteristic of the sign problem. The method is variational and is exact if \\|ΨT> is exact. We report results on the two-dimensional Hubbard model up to size 16×16, for various electron fillings and interaction strengths.

  18. A Remark on the Ground State Energy of Bosonic Atoms

    NASA Astrophysics Data System (ADS)

    Hogreve, H.

    2011-08-01

    Monotonicity properties of the ground state energy of bosonic atoms as established in a recent paper by M.K.H. Kiessling [J. Stat. Phys. 139:1063 (2009)] are studied. Symmetry and scaling arguments lead to a more direct proof of a slightly stronger result of this monotonicity and the behavior of the ground state energy as a function of the number of bosonic electrons. Furthermore, invoking appropriate lower and upper bounds on two-electron systems, the stability of the bosonics He- ion is rigorously demonstrated.

  19. Characterizing Ground and Thermal States of Few-Body Hamiltonians.

    PubMed

    Huber, Felix; Gühne, Otfried

    2016-07-01

    The question whether a given quantum state is a ground or thermal state of a few-body Hamiltonian can be used to characterize the complexity of the state and is important for possible experimental implementations. We provide methods to characterize the states generated by two- and, more generally, k-body Hamiltonians as well as the convex hull of these sets. This leads to new insights into the question of which states are uniquely determined by their marginals and to a generalization of the concept of entanglement. Finally, certification methods for quantum simulation can be derived. PMID:27419547

  20. Characterizing Ground and Thermal States of Few-Body Hamiltonians

    NASA Astrophysics Data System (ADS)

    Huber, Felix; Gühne, Otfried

    2016-07-01

    The question whether a given quantum state is a ground or thermal state of a few-body Hamiltonian can be used to characterize the complexity of the state and is important for possible experimental implementations. We provide methods to characterize the states generated by two- and, more generally, k -body Hamiltonians as well as the convex hull of these sets. This leads to new insights into the question of which states are uniquely determined by their marginals and to a generalization of the concept of entanglement. Finally, certification methods for quantum simulation can be derived.

  1. Coherent Control of Ground State NaK Molecules

    NASA Astrophysics Data System (ADS)

    Yan, Zoe; Park, Jee Woo; Loh, Huanqian; Will, Sebastian; Zwierlein, Martin

    2016-05-01

    Ultracold dipolar molecules exhibit anisotropic, tunable, long-range interactions, making them attractive for the study of novel states of matter and quantum information processing. We demonstrate the creation and control of 23 Na40 K molecules in their rovibronic and hyperfine ground state. By applying microwaves, we drive coherent Rabi oscillations of spin-polarized molecules between the rotational ground state (J=0) and J=1. The control afforded by microwave manipulation allows us to pursue engineered dipolar interactions via microwave dressing. By driving a two-photon transition, we are also able to observe Ramsey fringes between different J=0 hyperfine states, with coherence times as long as 0.5s. The realization of long coherence times between different molecular states is crucial for applications in quantum information processing. NSF, AFOSR- MURI, Alfred P. Sloan Foundation, DARPA-OLE

  2. Optimal control of the population dynamics of the ground vibrational state of a polyatomic molecule

    NASA Astrophysics Data System (ADS)

    de Clercq, Ludwig E.; Botha, Lourens R.; Rohwer, Erich G.; Uys, Hermann; Du Plessis, Anton

    2011-03-01

    Simulating coherent control with femtosecond pulses on a polyatomic molecule with anharmonic splitting was demonstrated. The simulation mimicked pulse shaping of a Spatial Light Modulator (SLM) and the interaction was described with the Von Neumann equation. A transform limited pulse with a fluence of 600 J/m2 produced 18% of the population in an arbitrarily chosen upper vibrational state, n =2. Phase only and amplitude only shaped pulse produced optimum values of 60% and 40% respectively, of the population in the vibrational state, n=2, after interaction with the ultra short pulse. The combination of phase and amplitude shaping produced the best results, 80% of the population was in the targeted vibrational state, n=2, after interaction. These simulations were carried out with all the population initially in the ground vibrational level. It was found that even at room temperatures (300 Kelvin) that the population in the selected level is comparable with the case where all population is initially in the ground vibrational state. With a 10% noise added to the amplitude and phase masks, selective excitation of the targeted vibrational state is still possible.

  3. Ground state search, hysteretic behaviour, and reversal mechanism of skyrmionic textures in confined helimagnetic nanostructures.

    PubMed

    Beg, Marijan; Carey, Rebecca; Wang, Weiwei; Cortés-Ortuño, David; Vousden, Mark; Bisotti, Marc-Antonio; Albert, Maximilian; Chernyshenko, Dmitri; Hovorka, Ondrej; Stamps, Robert L; Fangohr, Hans

    2015-01-01

    Magnetic skyrmions have the potential to provide solutions for low-power, high-density data storage and processing. One of the major challenges in developing skyrmion-based devices is the skyrmions' magnetic stability in confined helimagnetic nanostructures. Through a systematic study of equilibrium states, using a full three-dimensional micromagnetic model including demagnetisation effects, we demonstrate that skyrmionic textures are the lowest energy states in helimagnetic thin film nanostructures at zero external magnetic field and in absence of magnetocrystalline anisotropy. We also report the regions of metastability for non-ground state equilibrium configurations. We show that bistable skyrmionic textures undergo hysteretic behaviour between two energetically equivalent skyrmionic states with different core orientation, even in absence of both magnetocrystalline and demagnetisation-based shape anisotropies, suggesting the existence of Dzyaloshinskii-Moriya-based shape anisotropy. Finally, we show that the skyrmionic texture core reversal dynamics is facilitated by the Bloch point occurrence and propagation. PMID:26601904

  4. Ground state search, hysteretic behaviour, and reversal mechanism of skyrmionic textures in confined helimagnetic nanostructures

    PubMed Central

    Beg, Marijan; Carey, Rebecca; Wang, Weiwei; Cortés-Ortuño, David; Vousden, Mark; Bisotti, Marc-Antonio; Albert, Maximilian; Chernyshenko, Dmitri; Hovorka, Ondrej; Stamps, Robert L.; Fangohr, Hans

    2015-01-01

    Magnetic skyrmions have the potential to provide solutions for low-power, high-density data storage and processing. One of the major challenges in developing skyrmion-based devices is the skyrmions’ magnetic stability in confined helimagnetic nanostructures. Through a systematic study of equilibrium states, using a full three-dimensional micromagnetic model including demagnetisation effects, we demonstrate that skyrmionic textures are the lowest energy states in helimagnetic thin film nanostructures at zero external magnetic field and in absence of magnetocrystalline anisotropy. We also report the regions of metastability for non-ground state equilibrium configurations. We show that bistable skyrmionic textures undergo hysteretic behaviour between two energetically equivalent skyrmionic states with different core orientation, even in absence of both magnetocrystalline and demagnetisation-based shape anisotropies, suggesting the existence of Dzyaloshinskii-Moriya-based shape anisotropy. Finally, we show that the skyrmionic texture core reversal dynamics is facilitated by the Bloch point occurrence and propagation. PMID:26601904

  5. Ground state search, hysteretic behaviour, and reversal mechanism of skyrmionic textures in confined helimagnetic nanostructures

    NASA Astrophysics Data System (ADS)

    Beg, Marijan; Carey, Rebecca; Wang, Weiwei; Cortés-Ortuño, David; Vousden, Mark; Bisotti, Marc-Antonio; Albert, Maximilian; Chernyshenko, Dmitri; Hovorka, Ondrej; Stamps, Robert L.; Fangohr, Hans

    2015-11-01

    Magnetic skyrmions have the potential to provide solutions for low-power, high-density data storage and processing. One of the major challenges in developing skyrmion-based devices is the skyrmions’ magnetic stability in confined helimagnetic nanostructures. Through a systematic study of equilibrium states, using a full three-dimensional micromagnetic model including demagnetisation effects, we demonstrate that skyrmionic textures are the lowest energy states in helimagnetic thin film nanostructures at zero external magnetic field and in absence of magnetocrystalline anisotropy. We also report the regions of metastability for non-ground state equilibrium configurations. We show that bistable skyrmionic textures undergo hysteretic behaviour between two energetically equivalent skyrmionic states with different core orientation, even in absence of both magnetocrystalline and demagnetisation-based shape anisotropies, suggesting the existence of Dzyaloshinskii-Moriya-based shape anisotropy. Finally, we show that the skyrmionic texture core reversal dynamics is facilitated by the Bloch point occurrence and propagation.

  6. Continuous Optical Production of Ultracold Vibronic Ground State Polar Molecules

    NASA Astrophysics Data System (ADS)

    Bruzewicz, Colin David

    We present recent results on the formation of ultracold polar molecules via photoassociation. Beginning with pre-cooled samples of Rb and Cs atoms, we produce electronically-excited molecules that inherit the ultracold temperature of their atomic precursors. In order to create large samples of ultracold molecules in their vibrational and rotational X 1Sigma+(upsilon=J=0) ground state, we study two different photoassociative regimes. In the first, molecules are created in a particular highly vibrationally-excited molecular state and decay strongly to a weakly-bound vibrational level in the ground a3Sigma + state. To study a possible population transfer scheme from this state to the X1Sigma+(upsilon=J=0) ground state, we present high-resolution depletion spectroscopy of the a 3Sigma+ c3Sigma+ transition for use in the first stage of a proposed Stimulated Raman Adiabatic Passage (STIRAP) transfer. In the second photoassociative regime, molecules are created in deeply-bound, electronically-excited vibrational levels that decay directly to the X1Sigma+(upsilon=0) state, obviating the need for population transfer. Through theoretical analysis and subsequent experimental verification, we demonstrate continuous formation of X 1Sigma+(upsilon=0) RbCs molecules at rates in excess of 103/s. We then conclude with detailed calculations of a method to purify the molecular sample of unwanted excited molecular states, based on inelastic scattering with ultracold Cs atoms.

  7. Tuning ground states and excitations in complex electronic materials

    SciTech Connect

    Bishop, A.R.

    1996-09-01

    Modern electronic materials are characterized by a great variety of broken-symmetry ground states and excitations. Their control requires understanding and tuning underlying driving forces of spin-charge-lattice coupling, critical to macroscopic properties and applications. We report representative model calculations which demonstrate some of the richness of the phenomena and the challenges for successful microscopic modeling.

  8. Electronic Ground and Excited State Spectral Diffusion of a Photocatalyst

    NASA Astrophysics Data System (ADS)

    Kiefer, Laura M.; King, John T.; Kubarych, Kevin J.

    2014-06-01

    Re(bpy)(CO)_3Cl is a well studied CO_2 reduction catalyst, known for its ability as both a photosensitizer and a catalyst with a high quantum yield and product selectivity. The catalysis reaction is initiated by a 400 nm excitation, followed by an intersystem crossing (ISC) and re-equilibration in the lowest triplet state. We utilize the quasi-equilibrium nature of this long-lived triplet metal-to-ligand charge-transfer (3MLCT) state to completely characterize the solvent dynamics using the technique of transient two-dimensional infrared (t-2DIR) spectroscopy to extract observables such as the frequency-frequency correlation function (FFCF), an equilibrium function. The electronic ground state solvent dynamics are characterized using equilibrium two-dimensional infrared spectroscopy (2D IR). Our technique allows us to independently observe the solvent dynamics of different electronic states and compare them. In this study, three carbonyl stretching modes were utilized to probe both the intramolecular and solvent environments in each electronic state. In the electronic ground state, the totally symmetric mode exhibits pure homogeneous broadening and a lack of spectral dynamics, while the two other modes have similar FFCF decay times of ˜ 1.5 ps. In the 3MLCT, however, all three modes experience similar spectral dynamics and have a FFCF decay time of ˜ 4.5 ps, three times slower than in the electronic ground state. Our technique allows us to directly observe the differences in spectral dynamics of the ground and excited electronic states and allows us to attribute the differences to specific origins such as solvent-solute coupling and molecular flexibility.

  9. Measured atomic ground-state polarizabilities of 35 metallic elements

    NASA Astrophysics Data System (ADS)

    Ma, Lei; Indergaard, John; Zhang, Baiqian; Larkin, Ilia; Moro, Ramiro; de Heer, Walt A.

    2015-01-01

    Advanced pulsed cryogenic molecular-beam electric deflection methods involving position-sensitive mass spectrometry and 7.87-eV ionizing radiation were used to measure the polarizabilities of more than half of the metallic elements in the Periodic Table. Concurrent Stern-Gerlach deflection measurements verified the ground-state condition of the measured atoms. Comparison with state-of-the-art calculations exposes significant systematic and isolated discrepancies throughout the Periodic Table.

  10. Probing Majorana Bound States in T-Shaped Junctions

    NASA Astrophysics Data System (ADS)

    Wu, Bin-He; Cheng, Xiao; Wang, Chun-Rui; Gong, Wei-Jiang

    2014-03-01

    We investigate the transport properties of a pair of Majorana bound states in a T-shaped junction, where two normal leads are coupled with an identical Majorana bound state. Both the scattering matrix and the recursive Green function method show that the peak value of the differential conductance (Gpeak) in units of e2/h and the shot noise Fano factor in the zero bias limit (F0), which are measured at the same lead and zero temperature, satisfy a linear relation as F0 = 1 + Gpeak/2, independent of the magnitude or symmetry of the coupling strengths to the leads. Therefore, combined measurements of the differential conductance and shot noise in the T-shaped geometry can serve as a characteristic signature in probing Majorana bound states.

  11. Organizational Culture Shapes the Adoption and Incorporation of Simulation into Nursing Curricula: A Grounded Theory Study

    PubMed Central

    Jack, Susan M.; Eva, Kevin; Martin, Lynn

    2014-01-01

    Purpose. To create a substantive mid-range theory explaining how the organizational cultures of undergraduate nursing programs shape the adoption and incorporation of mid-to high-level technical fidelity simulators as a teaching strategy within curricula. Method. A constructivist grounded theory was used to guide this study which was conducted in Ontario, Canada, during 2011-12. Semistructured interviews (n = 43) with participants that included nursing administrators, nursing faculty, and simulation leaders across multiple programs (n = 13) informed this study. Additionally, key documents (n = 67) were reviewed. Purposeful and theoretical sampling was used and data were collected and analyzed simultaneously. Data were compared among and between sites. Findings. The organizational elements that shape simulation in nursing (OESSN) model depicts five key organizational factors at the nursing program level that shaped the adoption and incorporation of simulation: (1) leaders working in tandem, (2) information exchange, (3) physical locale, (4) shared motivators, and (5) scaffolding to manage change. Conclusions. The OESSN model provides an explanation of the organizational factors that contributed to the adoption and incorporation of simulation into nursing curricula. Nursing programs that use the OESSN model may experience a more rapid or broad uptake of simulation when organizational factors that impact adoption and incorporation are considered and planned for. PMID:24818018

  12. Ground state study of the thin ferromagnetic nano-islands for artificial spin ice arrays

    SciTech Connect

    Vieira Júnior, D. S.; Leonel, S. A. Dias, R. A. Toscano, D. Coura, P. Z. Sato, F.

    2014-09-07

    In this work, we used numerical simulations to study the magnetic ground state of the thin elongated (elliptical) ferromagnetic nano-islands made of Permalloy. In these systems, the effects of demagnetization of dipolar source generate a strong magnetic anisotropy due to particle shape, defining two fundamental magnetic ground state configurations—vortex or type C. To describe the system, we considered a model Hamiltonian in which the magnetic moments interact through exchange and dipolar potentials. We studied the competition between the vortex states and aligned states—type C—as a function of the shape of each elliptical nano-islands and constructed a phase diagram vortex—type C state. Our results show that it is possible to obtain the elongated nano-islands in the C-state with aspect ratios less than 2, which is interesting from the technological point of view because it will be possible to use smaller islands in spin ice arrays. Generally, the experimental spin ice arrangements are made with quite elongated particles with aspect ratio approximately 3 to ensure the C-state.

  13. Ground State of the Parallel Double Quantum Dot System

    NASA Astrophysics Data System (ADS)

    Žitko, Rok; Mravlje, Jernej; Haule, Kristjan

    2012-02-01

    We resolve the controversy regarding the ground state of the parallel double quantum dot system near half filling. The numerical renormalization group predicts an underscreened Kondo state with residual spin-1/2 magnetic moment, ln⁡2 residual impurity entropy, and unitary conductance, while the Bethe ansatz solution predicts a fully screened impurity, regular Fermi-liquid ground state, and zero conductance. We calculate the impurity entropy of the system as a function of the temperature using the hybridization-expansion continuous-time quantum Monte Carlo technique, which is a numerically exact stochastic method, and find excellent agreement with the numerical renormalization group results. We show that the origin of the unconventional behavior in this model is the odd-symmetry “dark state” on the dots.

  14. Measured Atomic Ground State Polarizabilities of 35 Metallic Elements

    NASA Astrophysics Data System (ADS)

    Indergaard, John; Ma, Lei; Zhang, Baiqian; Larkin, Ilia; Moro, Ramiro; de Heer, Walter

    2015-03-01

    Advanced pulsed cryogenic molecular beam electric deflection methods utilizing a position-sensitive mass spectrometer and 7.87 eV ionizing radiation were used to measure the polarizabilities of more than half of the metallic elements in the periodic table for the first time. These measurements increase the total number of experimentally obtained atomic polarizabilities from 23 to 57. Concurrent Stern-Gerlach deflection measurements verified the ground state condition of the measured atoms. Generating higher temperature beams allowed for the comparison of relative populations of the ground and excited states in order to extract the true temperature of the atomic beam, which followed the nominal temperature closely over a wide temperature range. Comparison of newly measured polarizabilities with state-of-the-art calculations exposes significant systematic and isolated discrepancies throughout the periodic table. Cluster Lab at Georgia Tech.

  15. Ground state occupation probabilities of neutrinoless double beta decay candidates

    NASA Astrophysics Data System (ADS)

    Kotila, Jenni; Barea, Jose

    2015-10-01

    A better understanding of nuclear structure can offer important constraints on the calculation of 0 νββ nuclear matrix elements. A simple way to consider differences between initial and final states of neutrinoless double beta decay candidates is to look at the ground state occupation probabilities of initial and final nuclei. As is well known, microscopic interacting boson model (IBM-2) has found to be very useful in the description of detailed aspects of nuclear structure. In this talk I will present results for ground state occupation probabilities obtained using IBM-2 for several interesting candidates of 0 νββ -decay. Comparison with recent experimental results is also made. This work was supported Academy of Finland (Project 266437) and Chilean Ministry of Education (Fondecyt Grant No. 1150564),

  16. Nonmagnetic ground state of PuO2

    NASA Astrophysics Data System (ADS)

    Shick, A. B.; Kolorenč, J.; Havela, L.; Gouder, T.; Caciuffo, R.

    2014-01-01

    The correlated band theory implemented as a combination of the local density approximation with the exact diagonalization of the Anderson impurity model is applied to PuO2. We obtain an insulating electronic structure consistent with the experimental photoemission spectra. The calculations yield a band gap of 1.8 eV and a nonmagnetic singlet ground state that is characterized by a noninteger filling of the plutonium f shell (nf≈4.5). Due to sizable hybridization of the f shell with the p states of oxygen, the ground state is more complex than the four-electron Russell-Saunders 5I4 manifold split by the crystal field. The inclusion of hybridization improves the agreement between the theory and experiment for the magnetic susceptibility.

  17. Ground-state phases of polarized deuterium species

    SciTech Connect

    Panoff, R.M.; Clark, J.W.

    1987-10-01

    Microscopic prediction of the ground-state phase of electron-spin-aligned bulk atomic deuterium (Darrow-down) is attempted, based on the variational Monte Carlo method. The accurate pair potential of Kolos and Wolniewicz is assumed, and three versions of Darrow-down are considered, which, respectively, involve one, two, and three equally occupied nuclear spin states. The most definitive results on the zero-temperature equations of state of these systems are obtained with optimized ground-state trial wave functions incorporating Jastrow pair correlations, triplet correlations, and momentum-dependent backflow effects. The species Darrow-down/sub 3/ is bound already at the pure Jastrow level, while the energy expectation value of Darrow-down/sub 2/ dips below zero upon supplementing the Jastrow description by triplets and momentum-dependent backflow. The variational energy of Darrow-down/sub 1/ remains positive under all current refinements of the ground-state trial function. We conclude that the systems Darrow-down/sub 3/ and Darrow-down/sub 2/, if they could be manufactured and stabilized at relevant densities, would be Fermi liquids at sufficiently low temperature; on the other hand, it is likely that Darrow-down/sub 1/ would remain gaseous down to absolute zero.

  18. The Irregular Shape of (21) Lutetia as Determined from Ground-based Observations

    NASA Astrophysics Data System (ADS)

    Conrad, A.; Carry, B.; Merline, W. J.; Drummond, J. D.; Chapman, C. R.; Tamblyn, P. M.; Christou, J. C.; Dumas, C.; Weaver, H. A.; Rosetta OSIRIS Instument Team

    2010-12-01

    We report the results of our campaign to improve our understanding of the physical characteristics of asteroid (21) Lutetia ahead of the Rosetta flyby in 2010 July. This included measurements of shape, size, pole, density, and a search for satellites. We utilized primarily adaptive optics (AO) on large ground-based telescopes (Keck, Gemini, and VLT). We coordinated these efforts with HST observations (Weaver et al. 2010, A&A 518, A4), made in support of Rosetta’s ALICE UV spectrometer. Preliminary results were supplied to Rosetta mission teams in fall of 2009 to assist in planning for the mission. Observations and analyses were complete and submitted for publication before the flyby (Drummond et al. 2010, A&A, in press; Carry et al. 2010, A&A, in press). Using more than 300 AO images of Lutetia, which subtended only slightly more than two resolution-elements (0.10”) for these large telescopes, we were able to derive accurate size and shape information, as well as a pole and spin period. We modeled the size and shape using both a triaxial-ellipsoid model and a 3D radius-vector model. The radius-vector model used our new technique of multi-dataset inversion, called KOALA (for Knitted Occultation, Adaptive optics, and Lightcurve Analysis), in which we utilized not only our AO imaging, but also 50 lightcurves spanning 48 years. We combined the best aspects of each model to produce our best-estimate 3D shape model, a hybrid having ellipsoid-equivalent dimensions of 124 x 101 x 93 km (± 5 x 4 x 13 km) and effective diameter 105 ± 7 km. We found the spin axis of Lutetia to lie within 5 deg of [long, lat (52,-6)] or [RA DEC (52,+12)] and determined an improved sidereal period of 8.168270 ± 0.000001 h. We predicted the geometry of Lutetia during the flyby and showed that the southern hemisphere would be in seasonal shadow at that time. The model suggested the presence of several concavities and irregularities that may be associated with large impacts. The model

  19. Periodic Striped Ground States in Ising Models with Competing Interactions

    NASA Astrophysics Data System (ADS)

    Giuliani, Alessandro; Seiringer, Robert

    2016-06-01

    We consider Ising models in two and three dimensions, with short range ferromagnetic and long range, power-law decaying, antiferromagnetic interactions. We let J be the ratio between the strength of the ferromagnetic to antiferromagnetic interactions. The competition between these two kinds of interactions induces the system to form domains of minus spins in a background of plus spins, or vice versa. If the decay exponent p of the long range interaction is larger than d + 1, with d the space dimension, this happens for all values of J smaller than a critical value J c (p), beyond which the ground state is homogeneous. In this paper, we give a characterization of the infinite volume ground states of the system, for p > 2d and J in a left neighborhood of J c (p). In particular, we prove that the quasi-one-dimensional states consisting of infinite stripes (d = 2) or slabs (d = 3), all of the same optimal width and orientation, and alternating magnetization, are infinite volume ground states. Our proof is based on localization bounds combined with reflection positivity.

  20. Mixed configuration ground state in iron(II) phthalocyanine

    NASA Astrophysics Data System (ADS)

    Fernández-Rodríguez, Javier; Toby, Brian; van Veenendaal, Michel

    2015-06-01

    We calculate the angular dependence of the x-ray linear and circular dichroism at the L2 ,3 edges of α -Fe(II) Phthalocyanine (FePc) thin films using a ligand-field model with full configuration interaction. We find the best agreement with the experimental spectra for a mixed ground state of 3Eg(a1g 2eg3b2g 1) and 3B2 g(a1g 1eg4b2g 1) with the two configurations coupled by the spin-orbit interaction. The 3Eg(b ) and 3B2 g states have easy-axis and easy-plane anisotropies, respectively. Our model accounts for an easy-plane magnetic anisotropy and the measured magnitudes of the in-plane orbital and spin moments. The proximity in energy of the two configurations allows a switching of the magnetic anisotropy from easy plane to easy axis with a small change in the crystal field, as recently observed for FePc adsorbed on an oxidized Cu surface. We also discuss the possibility of a quintet ground state (5A1 g is 250 meV above the ground state) with planar anisotropy by manipulation of the Fe-C bond length by depositing the complex on a substrate that is subjected to a mechanical strain.

  1. Guidelines for ground motion definition for the eastern United States

    SciTech Connect

    Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.

    1985-06-01

    Guidelines for the determination of earthquake ground motion definition for the eastern United States are established here. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large- to great-sized earthquakes (M/sub s/ > 7.5) have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes has been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data have been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data, a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the safe shutdown earthquake (SSE). A new procedure for establishing the operating basis earthquake (OBE) is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors. 17 refs., figs., tabs.

  2. Ground-state properties of quantum triangular ice

    NASA Astrophysics Data System (ADS)

    Owerre, S. A.

    2016-03-01

    Motivated by recent quantum Monte Carlo (QMC) simulations of the quantum Kagome ice model by Juan Carrasquilla et al., [Nat. Commun., 6, 7421 (2015), 10.1038/ncomms8421], we study the ground-state properties of this model on the triangular lattice. In the presence of a magnetic field h , the Hamiltonian possesses competing interactions between a Z2-invariant easy-axis ferromagnetic interaction J±± and a frustrated Ising term Jz. As in the U(1)-invariant model, we obtain four classical distinctive phases, however, the classical phases in the Z2-invariant model are different. They are as follows: a fully polarized (FP) ferromagnet for large h , an easy-axis canted ferromagnet (CFM) with broken Z2 symmetry for small h and dominant J±±, a ferrosolid phase with broken translational and Z2 symmetries for small h and dominant Jz, and two lobes with m ==±1 /6 for small h and dominant Jz. We show that quantum fluctuations are suppressed in this model, hence the large-S expansion gives an accurate picture of the ground-state properties. When quantum fluctuations are introduced, we show that the ferrosolid state is the ground state in the dominant Ising limit at zero magnetic field. It remains robust for Jz→∞ . With nonzero magnetic field the classical lobes acquire a finite magnetic susceptibility with no Sz order. We present the trends of the ground-state energy and the magnetizations. We also present a detail analysis of the CFM.

  3. a Variational Ground State for the Fractional Quantum Hall Effect.

    NASA Astrophysics Data System (ADS)

    Galejs, Robert Julian

    1987-09-01

    The fractional quantum Hall effect has aroused much interest in recent years. A large portion of the research in this field has centered on the theoretical understanding of the ground state properties of a system of two-dimensional electrons in a perpendicular magnetic field. One of the most successful models for such a system is that of Laughlin, who proposed a trial wavefunction to model the ground state for certain electron densities. The present work examines the ground state of this system variationally for three and four electrons. The ground state was modeled as a sum of Slater determinants composed of one-electron functions from the lowest Landau level. This wavefunction was placed on a disk of neutralizing charge and the coefficients of the determinants varied to minimize the energy. This variational wavefunction may be compared directly with Laughlin's, as well as model densities not described by Laughlin. The energy per electron was found to vary smoothly as a function of filling factor except at discrete points where there was an upward cusp. Downward cusps, as found by other investigators, were not found in this work. In the smooth portions, the wavefunction is incompressible whereas at the cusps, the wavefunction undergoes a drastic change. In the presence of impurities, these upward cusps smooth out and the wavefunction is now charge-density-wave -like near the former location of the cusps. This variation between incompressible and charge-density-wave behavior may give an explanation of the behavior of the Hall plateau widths as a function of impurity concentration. At a filling factor of 1/3 it was found that the Laughlin wavefunction is a very good approximation to the ground state, giving a very large overlap with and only a slightly higher energy than the variational state calculated here. Laughlin's excited states appear to be a good approximation as well, although the details of their charge density may not be. A new class of wavefunctions was

  4. Approximating ground and excited state energies on a quantum computer

    NASA Astrophysics Data System (ADS)

    Hadfield, Stuart; Papageorgiou, Anargyros

    2015-04-01

    Approximating ground and a fixed number of excited state energies, or equivalently low-order Hamiltonian eigenvalues, is an important but computationally hard problem. Typically, the cost of classical deterministic algorithms grows exponentially with the number of degrees of freedom. Under general conditions, and using a perturbation approach, we provide a quantum algorithm that produces estimates of a constant number of different low-order eigenvalues. The algorithm relies on a set of trial eigenvectors, whose construction depends on the particular Hamiltonian properties. We illustrate our results by considering a special case of the time-independent Schrödinger equation with degrees of freedom. Our algorithm computes estimates of a constant number of different low-order eigenvalues with error and success probability at least , with cost polynomial in and . This extends our earlier results on algorithms for estimating the ground state energy. The technique we present is sufficiently general to apply to problems beyond the application studied in this paper.

  5. Quantum-classical equivalence and ground-state factorization

    NASA Astrophysics Data System (ADS)

    Abouie, Jahanfar; Sepehrinia, Reza

    2016-02-01

    We have performed an analytical study of quantum-classical equivalence for quantum XY-spin chains with arbitrary interactions to explore the classical counterpart of the factorizing magnetic fields that drive the system into a separable ground state. We demonstrate that the factorizing line in the parameter space of a quantum model is equivalent to the so-called natural boundary that emerges in mapping the quantum XY-model onto the two-dimensional classical Ising model. As a result, we show that the quantum systems with the non-factorizable ground state could not be mapped onto the classical Ising model. Based on the presented correspondence we suggest a promising method for obtaining the factorizing field of quantum systems through the commutation of the quantum Hamiltonian and the transfer matrix of the classical model.

  6. Simulation of the hydrogen ground state in stochastic electrodynamics

    NASA Astrophysics Data System (ADS)

    Nieuwenhuizen, Theo M.; Liska, Matthew T. P.

    2015-10-01

    Stochastic electrodynamics is a classical theory which assumes that the physical vacuum consists of classical stochastic fields with average energy \\frac{1}{2}{{\\hslash }}ω in each mode, i.e., the zero-point Planck spectrum. While this classical theory explains many quantum phenomena related to harmonic oscillator problems, hard results on nonlinear systems are still lacking. In this work the hydrogen ground state is studied by numerically solving the Abraham-Lorentz equation in the dipole approximation. First the stochastic Gaussian field is represented by a sum over Gaussian frequency components, next the dynamics is solved numerically using OpenCL. The approach improves on work by Cole and Zou 2003 by treating the full 3d problem and reaching longer simulation times. The results are compared with a conjecture for the ground state phase space density. Though short time results suggest a trend towards confirmation, in all attempted modellings the atom ionises at longer times.

  7. Room temperature skyrmion ground state stabilized through interlayer exchange coupling

    SciTech Connect

    Chen, Gong Schmid, Andreas K.; Mascaraque, Arantzazu; N'Diaye, Alpha T.

    2015-06-15

    Possible magnetic skyrmion device applications motivate the search for structures that extend the stability of skyrmion spin textures to ambient temperature. Here, we demonstrate an experimental approach to stabilize a room temperature skyrmion ground state in chiral magnetic films via exchange coupling across non-magnetic spacer layers. Using spin polarized low-energy electron microscopy to measure all three Cartesian components of the magnetization vector, we image the spin textures in Fe/Ni films. We show how tuning the thickness of a copper spacer layer between chiral Fe/Ni films and perpendicularly magnetized Ni layers permits stabilization of a chiral stripe phase, a skyrmion phase, and a single domain phase. This strategy to stabilize skyrmion ground states can be extended to other magnetic thin film systems and may be useful for designing skyrmion based spintronics devices.

  8. Kac-Moody symmetries of critical ground states

    NASA Astrophysics Data System (ADS)

    Kondev, Jané; Henley, Christopher L.

    1996-02-01

    The symmetries of critical ground states of two-dimensional lattice models are investigated. We show how mapping a critical ground state to a model of a rough interface can be used to identify the chiral symmetry algebra of the conformal field theory that describes its scaling limit. This is demonstrated in the case of the six-vertex model, the three-coloring model on the honeycomb lattice, and the four-coloring model on the square lattice. These models are critical and they are described in the continuum by conformal field theories whose symmetry algebras are the su(2) k=1 , su(3) k=1 , and the su(4) k=1 Kac-Moody algebra, respectively. Our approach is based on the Frenkel-Kac-Segal vertex operator construction of level-one Kac-Moody algebras.

  9. The valence-fluctuating ground state of plutonium

    PubMed Central

    Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; Ramos, Mike; Trouw, Frans; Zhu, Jian-Xin; Haule, Kristjan; Kotliar, Gabriel; Bauer, Eric D.

    2015-01-01

    A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise because of the competition of localized and itinerant electronic degrees of freedom. Although the respective limits of well-localized or entirely itinerant ground states are well understood, the intermediate regime that controls the functional properties of complex materials continues to challenge theoretical understanding. We have used neutron spectroscopy to investigate plutonium, which is a prototypical material at the brink between bonding and nonbonding configurations. Our study reveals that the ground state of plutonium is governed by valence fluctuations, that is, a quantum mechanical superposition of localized and itinerant electronic configurations as recently predicted by dynamical mean field theory. Our results not only resolve the long-standing controversy between experiment and theory on plutonium’s magnetism but also suggest an improved understanding of the effects of such electronic dichotomy in complex materials. PMID:26601219

  10. On the correct electronic ground state of Tc( g )

    SciTech Connect

    Rard, J.A. ); Rand, M.H. ); Thornback, J.R. ); Wanner, H. )

    1991-05-01

    The electronic ground state of Tc({ital g}) is {sup 6}{ital S}{sub 5/2}, which arises from a 4{ital d}{sup 5}5{ital s}{sup 2} valence electron configuration. However, there are several treatises and review articles in which the ground state is incorrectly given as {ital S}{sub 9/2} with a valence electron configuration of 4{ital d}{sup 6}5{ital s}{sup 1}. The origin of this incorrect assignment was traced to the misinterpretation of a paper on the hyperfine splitting of the optical spectrum of technetium, and to confusion between nuclear and electronic spins.

  11. Cluster expansion for ground states of local Hamiltonians

    NASA Astrophysics Data System (ADS)

    Bastianello, Alvise; Sotiriadis, Spyros

    2016-08-01

    A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.

  12. Nuclear quadrupole moment of the {sup 99}Tc ground state

    SciTech Connect

    Errico, Leonardo; Darriba, German; Renteria, Mario; Tang Zhengning; Emmerich, Heike; Cottenier, Stefaan

    2008-05-15

    By combining first-principles calculations and existing nuclear magnetic resonance (NMR) experiments, we determine the quadrupole moment of the 9/2{sup +} ground state of {sup 99}Tc to be (-)0.14(3)b. This confirms the value of -0.129(20)b, which is currently believed to be the most reliable experimental determination, and disagrees with two earlier experimental values. We supply ab initio calculated electric-field gradients for Tc in YTc{sub 2} and ZrTc{sub 2}. If this calculated information would be combined with yet to be performed Tc-NMR experiments in these compounds, the error bar on the {sup 99}Tc ground state quadrupole moment could be further reduced.

  13. The valence-fluctuating ground state of plutonium

    SciTech Connect

    Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; Ramos, Mike; Trouw, Frans; Zhu, Jian -Xin; Haule, Kristjan; Kotliar, Gabriel; Bauer, Eric D.

    2015-07-10

    A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise because of the competition of localized and itinerant electronic degrees of freedom. Although the respective limits of well-localized or entirely itinerant ground states are well understood, the intermediate regime that controls the functional properties of complex materials continues to challenge theoretical understanding. We have used neutron spectroscopy to investigate plutonium, which is a prototypical material at the brink between bonding and nonbonding configurations. In addition, our study reveals that the ground state of plutonium is governed by valence fluctuations, that is, a quantum mechanical superposition of localized and itinerant electronic configurations as recently predicted by dynamical mean field theory. Our results not only resolve the long-standing controversy between experiment and theory on plutonium’s magnetism but also suggest an improved understanding of the effects of such electronic dichotomy in complex materials.

  14. Ground-state rotational constants of 12CH 3D

    NASA Astrophysics Data System (ADS)

    Chackerian, C.; Guelachvili, G.

    1980-12-01

    An analysis of ground-state combination differences in the ν2( A1) fundamental band of 12CH 3D ( ν0 = 2200.03896 cm -1) has been made to yield values for the rotational constants B0, D0J, D0JK, H0JJJ, H0JJK, H0JKK, LJJJJ, L0JJJK, and order of magnitude values for L0JJKK and L0JKKK. These constants should be useful in assisting radio searches for this molecule in astrophysical sources. In addition, splittings of A1A2 levels ( J ≥ 17, K = 3) have been measured in both the ground and excited vibrational states of this band.

  15. Topological entanglement entropy, ground state degeneracy and holography

    NASA Astrophysics Data System (ADS)

    Parnachev, Andrei; Poovuttikul, Napat

    2015-10-01

    Topological entanglement entropy, a measure of the long-ranged entanglement, is related to the degeneracy of the ground state on a higher genus surface. The exact relation depends on the details of the topological theory. We consider a class of holographic models where such relation might be similar to the one exhibited by Chern-Simons theory in a certain large N limit. Both the non-vanishing topological entanglement entropy and the ground state degeneracy in these holographic models are consequences of the topological Gauss-Bonnet term in the dual gravitational description. A soft wall holographic model of confinement is used to generate finite correlation length but keep the disk topology of the entangling surface in the bulk, necessary for nonvanishing topological entanglement entropy.

  16. Ground-State Structures of Atomic Metallic Hydrogen

    NASA Astrophysics Data System (ADS)

    McMahon, Jeffrey M.; Ceperley, David M.

    2011-04-01

    Ab initio random structure searching using density functional theory is used to determine the ground-state structures of atomic metallic hydrogen from 500 GPa to 5 TPa. Including proton zero-point motion within the harmonic approximation, we estimate that molecular hydrogen dissociates into a monatomic body-centered tetragonal structure near 500 GPa (rs=1.23) that remains stable to 1 TPa (rs=1.11). At higher pressures, hydrogen stabilizes in an …ABCABC… planar structure that is similar to the ground state of lithium, but with a different stacking sequence. With increasing pressure, this structure compresses to the face-centered cubic lattice near 3.5 TPa (rs=0.92).

  17. NEW GROUND-STATE MEASUREMENTS OF ETHYL CYANIDE

    SciTech Connect

    Brauer, Carolyn S.; Pearson, John C.; Drouin, Brian J.; Yu, Shanshan

    2009-09-01

    The spectrum of ethyl cyanide, or propionitrile (CH{sub 3}CH{sub 2}CN), has been repeatedly observed in the interstellar medium with large column densities and surprisingly high temperatures in hot core sources. The construction of new, more sensitive, observatories accessing higher frequencies such as Herschel, ALMA, and SOFIA have made it important to extend the laboratory data for ethyl cyanide to coincide with the capabilities of the new instruments. We report extensions of the laboratory measurements of the rotational spectrum of ethyl cyanide in its ground vibrational state to 1.6 THz. A global analysis of the ground state, which includes all of the previous data and 3356 newly assigned transitions, has been fitted to within experimental error to J = 132, K = 36, using both Watson A-reduced and Watson S-reduced Hamiltonians.

  18. Lowering of ground state induced by core-shell structure in strontium titanate

    NASA Astrophysics Data System (ADS)

    Kiat, J. M.; Hehlen, B.; Anoufa, M.; Bogicevic, C.; Curfs, C.; Boyer, B.; Al-Sabbagh, M.; Porcher, F.; Al-Zein, A.

    2016-04-01

    A new ground state of textbook compound strontium titanate (SrTi O3) is obtained by inducing a specific core-shell structure of the particles. Using a combination of high energy synchrotron and neutron diffraction, we demonstrate a lowering of the ferroelastic ground state towards a new antiferrodistortive phase, accompanied with strong shifts of the critical temperature. This new phase is discussed within the Landau theory and compared with the situation in thin films and during pressure experiments. The crucial competition between particle shape anisotropy, surface tension, and shear strain is analyzed. Inducing a specific core-shell structure is therefore an easy way to tailor structural properties and to stabilize new phases that cannot exist in bulk material, just like film deposition on a substrate.

  19. Photoionization of furan from the ground and excited electronic states

    NASA Astrophysics Data System (ADS)

    Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nada; Decleva, Piero

    2016-02-01

    Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

  20. Tuning the Ground State Symmetry of Acetylenyl Radicals.

    PubMed

    Zeng, Tao; Danovich, David; Shaik, Sason; Ananth, Nandini; Hoffmann, Roald

    2015-08-26

    The lowest excited state of the acetylenyl radical, HCC, is a (2)Π state, only 0.46 eV above the ground state, (2)Σ(+). The promotion of an electron from a π bond pair to a singly occupied σ hybrid orbital is all that is involved, and so we set out to tune those orbital energies, and with them the relative energetics of (2)Π and (2)Σ(+) states. A strategy of varying ligand electronegativity, employed in a previous study on substituted carbynes, RC, was useful, but proved more difficult to apply for substituted acetylenyl radicals, RCC. However, π-donor/acceptor substitution is effective in modifying the state energies. We are able to design molecules with (2)Π ground states (NaOCC, H2NCC ((2)A″), HCSi, FCSi, etc.) and vary the (2)Σ(+)-(2)Π energy gap over a 4 eV range. We find an inconsistency between bond order and bond dissociation energy measures of the bond strength in the Si-containing molecules; we provide an explanation through an analysis of the relevant potential energy curves. PMID:27162981

  1. Tuning the Ground State Symmetry of Acetylenyl Radicals

    PubMed Central

    2015-01-01

    The lowest excited state of the acetylenyl radical, HCC, is a 2Π state, only 0.46 eV above the ground state, 2Σ+. The promotion of an electron from a π bond pair to a singly occupied σ hybrid orbital is all that is involved, and so we set out to tune those orbital energies, and with them the relative energetics of 2Π and 2Σ+ states. A strategy of varying ligand electronegativity, employed in a previous study on substituted carbynes, RC, was useful, but proved more difficult to apply for substituted acetylenyl radicals, RCC. However, π-donor/acceptor substitution is effective in modifying the state energies. We are able to design molecules with 2Π ground states (NaOCC, H2NCC (2A″), HCSi, FCSi, etc.) and vary the 2Σ+–2Π energy gap over a 4 eV range. We find an inconsistency between bond order and bond dissociation energy measures of the bond strength in the Si-containing molecules; we provide an explanation through an analysis of the relevant potential energy curves. PMID:27162981

  2. Ground-state entanglement in the XXZ model

    SciTech Connect

    Gu Shijian; Lin Haiqing; Tian Guangshan

    2005-05-15

    In this paper, we investigate spin entanglement in the XXZ model defined on a d-dimensional bipartite lattice. The concurrence, a measure of the entanglement between two spins, is analyzed. We prove rigorously that the ground-state concurrence reaches maximum at the isotropic point. For dimensionality d{>=}2, the concurrence develops a cusp at the isotropic point and we attribute it to the existence of magnetic long-range order.

  3. Ground State Properties and Bubble Structure of Synthesized Superheavy Nuclei

    NASA Astrophysics Data System (ADS)

    Singh, S. K.; Ikram, M.; Patra, S. K.

    2013-01-01

    We calculate the ground state properties of recently synthesized superheavy elements (SHEs) from Z = 105-118 along with the predicted proton magic Z = 120. The relativistic and nonrelativistic mean field formalisms are used to evaluate the binding energy (BE), charge radius, quadrupole deformation parameter and the density distribution of nucleons. We analyzed the stability of the nuclei based on BE and neutron to proton ratio. We also studied the bubble structure which reveals the special features of the superheavy nuclei.

  4. Improvement in a phenomenological formula for ground state binding energies

    NASA Astrophysics Data System (ADS)

    Gangopadhyay, G.

    2016-07-01

    The phenomenological formula for ground state binding energy derived earlier [G. Gangopadhyay, Int. J. Mod. Phys. E 20 (2011) 179] has been modified. The parameters have been obtained by fitting the latest available tabulation of experimental values. The major modifications include a new term for pairing and introduction of a new neutron magic number at N = 160. The new formula reduced the root mean square deviation to 363keV, a substantial improvement over the previous version of the formula.

  5. Electronic and ground state properties of ThTe

    NASA Astrophysics Data System (ADS)

    Bhardwaj, Purvee; Singh, Sadhna

    2016-05-01

    The electronic properties of ThTe in cesium chloride (CsCl, B2) structure are investigated in the present paper. To study the ground state properties of thorium chalcogenide, the first principle calculations have been calculated. The bulk properties, including lattice constant, bulk modulus and its pressure derivative are obtained. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results.

  6. Ground-state energy and relativistic corrections for positronium hydride

    SciTech Connect

    Bubin, Sergiy; Varga, Kalman

    2011-07-15

    Variational calculations of the ground state of positronium hydride (HPs) are reported, including various expectation values, electron-positron annihilation rates, and leading relativistic corrections to the total and dissociation energies. The calculations have been performed using a basis set of 4000 thoroughly optimized explicitly correlated Gaussian basis functions. The relative accuracy of the variational energy upper bound is estimated to be of the order of 2x10{sup -10}, which is a significant improvement over previous nonrelativistic results.

  7. Variable energy, high flux, ground-state atomic oxygen source

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Orient, Otto J. (Inventor)

    1987-01-01

    A variable energy, high flux atomic oxygen source is described which is comprised of a means for producing a high density beam of molecules which will emit O(-) ions when bombarded with electrons; a means of producing a high current stream of electrons at a low energy level passing through the high density beam of molecules to produce a combined stream of electrons and O(-) ions; means for accelerating the combined stream to a desired energy level; means for producing an intense magnetic field to confine the electrons and O(-) ions; means for directing a multiple pass laser beam through the combined stream to strip off the excess electrons from a plurality of the O(-) ions to produce ground-state O atoms within the combined stream; electrostatic deflection means for deflecting the path of the O(-) ions and the electrons in the combined stream; and, means for stopping the O(-) ions and the electrons and for allowing only the ground-state O atoms to continue as the source of the atoms of interest. The method and apparatus are also adaptable for producing other ground-state atoms and/or molecules.

  8. Efficient determination of alloy ground-state structures

    NASA Astrophysics Data System (ADS)

    Seko, Atsuto; Shitara, Kazuki; Tanaka, Isao

    2014-11-01

    We propose an efficient approach to accurately finding the ground-state structures in alloys based on the cluster expansion method. In this approach, a small number of candidate ground-state structures are obtained without any information regarding the energy. To generate the candidates, we employ the convex hull constructed from the correlation functions of all possible structures by using an efficient algorithm. This approach is applicable to not only simple lattices, but also complex lattices. First, we evaluate the convex hulls for binary alloys with four types of simple lattice. Then we discuss the structures on the vertices. To examine the accuracy of this approach, we perform a set of density functional theory calculations and the cluster expansion for the Ag-Au alloy and compare the formation energies of the vertex structures with those of all possible structures. As applications, the ground-state structures of the intermetallic compounds CuAu, CuAg, CuPd, AuAg, AuPd, AgPd, MoTa, MoW, and TaW are similarly evaluated. Finally, the energy distribution is obtained for different cation arrangements in the MgAl2O4 spinel, for which long-range interactions are essential for the accurate description of its energetics.

  9. Alternative ground states enable pathway switching in biological electron transfer

    PubMed Central

    Abriata, Luciano A.; Álvarez-Paggi, Damián; Ledesma, Gabriela N.; Blackburn, Ninian J.; Vila, Alejandro J.; Murgida, Daniel H.

    2012-01-01

    Electron transfer is the simplest chemical reaction and constitutes the basis of a large variety of biological processes, such as photosynthesis and cellular respiration. Nature has evolved specific proteins and cofactors for these functions. The mechanisms optimizing biological electron transfer have been matter of intense debate, such as the role of the protein milieu between donor and acceptor sites. Here we propose a mechanism regulating long-range electron transfer in proteins. Specifically, we report a spectroscopic, electrochemical, and theoretical study on WT and single-mutant CuA redox centers from Thermus thermophilus, which shows that thermal fluctuations may populate two alternative ground-state electronic wave functions optimized for electron entry and exit, respectively, through two different and nearly perpendicular pathways. These findings suggest a unique role for alternative or “invisible” electronic ground states in directional electron transfer. Moreover, it is shown that this energy gap and, therefore, the equilibrium between ground states can be fine-tuned by minor perturbations, suggesting alternative ways through which protein–protein interactions and membrane potential may optimize and regulate electron–proton energy transduction. PMID:23054836

  10. Constrained path Monte Carlo method for fermion ground states

    SciTech Connect

    Zhang, S. |; Carlson, J.; Gubernatis, J.E.

    1997-03-01

    We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a branching random walk in an overcomplete basis of Slater determinants. By constraining the determinants according to a trial wave function {vert_bar}{psi}{sub T}{r_angle}, we remove the exponential decay of signal-to-noise ratio characteristic of the sign problem. The method is variational and is exact if {vert_bar}{psi}{sub T}{r_angle} is exact. We illustrate the method by describing in detail its implementation for the two-dimensional one-band Hubbard model. We show results for lattice sizes up to 16{times}16 and for various electron fillings and interaction strengths. With simple single-determinant wave functions as {vert_bar}{psi}{sub T}{r_angle}, the method yields accurate (often to within a few percent) estimates of the ground-state energy as well as correlation functions, such as those for electron pairing. We conclude by discussing possible extensions of the algorithm. {copyright} {ital 1997} {ital The American Physical Society}

  11. Constrained path Monte Carlo method for fermion ground states

    NASA Astrophysics Data System (ADS)

    Zhang, Shiwei; Carlson, J.; Gubernatis, J. E.

    1997-03-01

    We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a branching random walk in an overcomplete basis of Slater determinants. By constraining the determinants according to a trial wave function \\|ψT>, we remove the exponential decay of signal-to-noise ratio characteristic of the sign problem. The method is variational and is exact if \\|ψT> is exact. We illustrate the method by describing in detail its implementation for the two-dimensional one-band Hubbard model. We show results for lattice sizes up to 16×16 and for various electron fillings and interaction strengths. With simple single-determinant wave functions as \\|ψT>, the method yields accurate (often to within a few percent) estimates of the ground-state energy as well as correlation functions, such as those for electron pairing. We conclude by discussing possible extensions of the algorithm.

  12. Femtosecond stimulated Raman spectroscopy as a tool to detect molecular vibrations in ground and excited electronic states

    NASA Astrophysics Data System (ADS)

    Gelin, Maxim F.; Domcke, Wolfgang; Rao, B. Jayachander

    2016-05-01

    We give a detailed theoretical analysis of the simplest variant of femtosecond stimulated Raman spectroscopy, where a picosecond Raman pump pulse and a femtosecond Raman probe pulse are applied resonantly to a chromophore in thermal equilibrium in the ground electronic state. We demonstrate that this technique is capable of the detection of dephasing-free Raman-like lines revealing vibrational modes not only in the electronic ground state but also in the excited electronic state of the chromophore. The analytical results obtained with simplifying assumptions for the shape of the laser pulses are substantiated by numerical simulations with realistic laser pulses, employing the equation-of-motion phase-matching approach.

  13. Nuclear states and shapes at high spin. [Good review

    SciTech Connect

    Diamond, R.M.

    1980-08-01

    As angular momentum is added to a nucleus, the balance of forces acting upon it to determine its shape, moment of inertia, mode of rotation, and type of level structure may undergo a series of changes. At relatively low spins a deformed nucleus will rotate collectively, and one may see the effect of Coriolis antipairing in gradually increasing the moment of inertia. Around spin 12 to 16 h-bar there may be an abrupt change (backbending) when a pair of high-j nucleons unpairs and the nucleons align with the axis of rotation; this process allows the nucleus to slow its collective rotation. This process, the start of a sharing of angular momentum between single-particle motion and the collective rotation, gives a lower total energy and corresponds to a change toward triaxiality in the shape of the nucleus. At much higher spins discrete ..gamma..-ray transitions can no longer be observed. This is the regime of continuum spectra; all the information on these high-spin states (to 65 h-bar) is contained in these continuum cascades. Knowledge is accumulating on how to study these spectra, experimentally and theoretically, and new techniques offer promise of revealing a great deal of information about the shapes and properties of very high spin states. 71 references, 34 figures.

  14. Kohn-Sham Theory for Ground-State Ensembles

    SciTech Connect

    Ullrich, C. A.; Kohn, W.

    2001-08-27

    An electron density distribution n(r) which can be represented by that of a single-determinant ground state of noninteracting electrons in an external potential v(r) is called pure-state v -representable (P-VR). Most physical electronic systems are P-VR. Systems which require a weighted sum of several such determinants to represent their density are called ensemble v -representable (E-VR). This paper develops formal Kohn-Sham equations for E-VR physical systems, using the appropriate coupling constant integration. It also derives local density- and generalized gradient approximations, and conditions and corrections specific to ensembles.

  15. Competing ground states of a Peierls-Hubbard nanotube

    NASA Astrophysics Data System (ADS)

    Ohara, Jun; Yamamoto, Shoji

    2009-07-01

    Motivated by iodo platinum complexes assembled within a quadratic-prism lattice, [Pt(C2H8N2)(C10H8N2)I]4(NO3)8, we investigate the ground-state properties of a Peierls-Hubbard four-legged tube. Making a group-theoretical analysis, we systematically reveal a variety of valence arrangements, including half-metallic charge-density-wave states. Quantum and thermal phase competition is numerically demonstrated with particular emphasis on doping-induced successive insulator-to-metal transitions with conductivity increasing stepwise.

  16. Two different ground states in K-intercalated polyacenes

    NASA Astrophysics Data System (ADS)

    Phan, Quynh T. N.; Heguri, Satoshi; Tamura, Hiroyuki; Nakano, Takehito; Nozue, Yasuo; Tanigaki, Katsumi

    2016-02-01

    The electronic states of potassium- (K-) intercalated zigzag-type polycyclic aromatic (PLA) hydrocarbon [polyacene PLAs] Kx(PLAs ) are studied for a series of the four smallest molecules: naphthalene (NN), anthracene (AN), tetracene (TN), and pentacene (PN), focusing on their 1:1 stoichiometric phases. Clear experimental differences are identified between the first group [K1(NN ) and K1(AN ) ] and the second group [K1(TN ) and K1(PN ) ] by magnetic, vibrational, and optical measurements. The first group is categorized as a Mott insulator with an antiferromagnetic ground state with energy of ˜10 meV, whereas the second group is classified as a band insulator via dimer formation due to the spin Peierls instability. In the latter system, the first thermally accessible triplet states are located far apart from the singlet ground states and are not detected by electron spin-resonance spectroscopy until 300 K being very different from what is observed for the hole-doped PN reported earlier. The results give a new systematic understanding on the electronic states of electron-doped PLAs sensitive to the energetic balance among on-site Coulomb repulsion, bandwidth, and the Peierls instability.

  17. Ground state of naphthyl cation: Singlet or triplet?

    SciTech Connect

    Dutta, Achintya Kumar; Vaval, Nayana Pal, Sourav; Manohar, Prashant U.

    2014-03-21

    We present a benchmark theoretical investigation on the electronic structure and singlet-triplet(S-T) gap of 1- and 2-naphthyl cations using the CCSD(T) method. Our calculations reveal that the ground states of both the naphthyl cations are singlet, contrary to the results obtained by DFT/B3LYP calculations reported in previous theoretical studies. However, the triplet states obtained in the two structural isomers of naphthyl cation are completely different. The triplet state in 1-naphthyl cation is (π,σ) type, whereas in 2-naphthyl cation it is (σ,σ{sup ′}) type. The S-T gaps in naphthyl cations and the relative stability ordering of the singlet and the triplet states are highly sensitive to the basis-set quality as well as level of correlation, and demand for inclusion of perturbative triples in the coupled-cluster ansatz.

  18. The ground states and spin textures of rotating two-component Bose-Einstein condensates in an annular trap

    NASA Astrophysics Data System (ADS)

    Jin, Jingjing; Zhang, Suying; Han, Wei; Wei, Zhifeng

    2013-04-01

    We investigate the ground states and spin textures of rotating two-component Bose-Einstein condensates (BECs) confined in an annular potential. For the two-component miscible BECs, we analytically give the critical angular velocity of each component with the Thomas-Fermi approximation (TFA), at which the density profile changes from a disc shape into an annulus shape, forming a giant vortex. We present a phase diagram showing three kinds of density profiles of the ground states that are two disc shaped, one disc and another annulus shaped, and two annulus shaped. For the two-component immiscible BECs with particle number grave imbalance, we also discuss their ground states using the TFA, and three kinds of symmetrical structures of the density profiles are classified analytically. The spin textures of the two-component immiscible BECs have been studied and we find three kinds of symmetrical structures of the spin textures in the annular trap. One of these textures is an annular skyrmion which has been observed in harmonic potentials. Both of the other spin textures contain a new structure composed of concentric double-annulus skyrmion whose topological charge is the sum of the ones of two annular skyrmions, and the topological charge of each annular skyrmion is equal to the absolute value of the difference between the quantum numbers of circulation of two components inside this annular skyrmion. We also prove that these new textures are robust by investigating the dynamical behaviours of the system under external disturbances.

  19. Ground state of the three-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Yanagisawa, Takashi; Koike, Soh; Yamaji, Kunihiko

    2001-11-01

    The ground state of the two-dimensional three-band Hubbard model in oxide superconductors is investigated by using the variational Monte Carlo method. The Gutzwiller-projected BCS and spin density wave (SDW) functions are employed in the search for a possible ground state with respect to dependences on electron density. Antiferromagnetic correlations are considerably strong near half-filling. It is shown that the d-wave state may exist away from half-filling for both the hole and electron doping cases. The overall structure of the phase diagram obtained by our calculations qualitatively agrees with experimental indications. The superconducting condensation energy is in reasonable agreement with the experimental value obtained from specific heat and critical magnetic field measurements for optimally doped samples. The inhomogeneous SDW state is also examined near 1/8 doping. Incommensurate magnetic structures become stable due to hole doping in the underdoped region, where the transfer tpp between oxygen orbitals plays an important role in determining a stable stripe structure.

  20. Ground State and Excited State H-Atom Temperatures in a Microwave Plasma Diamond Deposition Reactor

    NASA Astrophysics Data System (ADS)

    Gicquel, A.; Chenevier, M.; Breton, Y.; Petiau, M.; Booth, J. P.; Hassouni, K.

    1996-09-01

    Ground electronic state and excited state H-atom temperatures are measured in a microwave plasma diamond deposition reactor as a function of a low percentage of methane introduced in the feed gas and the averaged input microwave power density. Ground state H-atom temperatures (T_H) and temperature of the H-atom in the n=3 excited state (T_{Hα}) are obtained from the measurements respectively of the excitation profile by Two-photon Allowed transition Laser Induced Fluorescence (TALIF) and the Hα line broadening by Optical Emission Spectroscopy (OES). They are compared to gas temperatures calculated with a 1D diffusive non equilibrium H{2} plasma flow model and to ground electronic state rotational temperatures of molecular hydrogen measured previously by Coherent Anti-Stokes Raman Spectroscopy.

  1. Estimating the ground-state probability of a quantum simulation with product-state measurements

    NASA Astrophysics Data System (ADS)

    Yoshimura, Bryce; Freericks, James

    2015-10-01

    .One of the goals in quantum simulation is to adiabatically generate the ground state of a complicated Hamiltonian by starting with the ground state of a simple Hamiltonian and slowly evolving the system to the complicated one. If the evolution is adiabatic and the initial and final ground states are connected due to having the same symmetry, then the simulation will be successful. But in most experiments, adiabatic simulation is not possible because it would take too long, and the system has some level of diabatic excitation. In this work, we quantify the extent of the diabatic excitation even if we do not know a priori what the complicated ground state is. Since many quantum simulator platforms, like trapped ions, can measure the probabilities to be in a product state, we describe techniques that can employ these simple measurements to estimate the probability of being in the ground state of the system after the diabatic evolution. These techniques do not require one to know any properties about the Hamiltonian itself, nor to calculate its eigenstate properties. All the information is derived by analyzing the product-state measurements as functions of time.

  2. Haloalkane- Aromatic Complexes in the Ground and Excited States. Molecular Orbital Calculation

    NASA Astrophysics Data System (ADS)

    Brinn, I. M.

    1980-04-01

    CNDO/2 calculations have been carried out on a series of haloalkane-aromatic 1: 1 complexes in the ground and first excited singlet states and one 2 : 1 complex in the ground state. Calculated stabilities agree very well with reported experimental results for the ground state. Our calculations indicate that the substituent effect on complex stability in excited states will be the opposite of that found for the ground state.

  3. Calculation of electron scattering from the ground state of ytterbium

    SciTech Connect

    Bostock, Christopher J.; Fursa, Dmitry V.; Bray, Igor

    2011-05-15

    We report on the application of the convergent close-coupling method, in both relativistic and nonrelativistic formulations, to electron scattering from ytterbium. Angle-differential and integrated cross sections are presented for elastic scattering and excitation of the states (6s6p){sup 3}P{sub 0,1,2}, (6s6p){sup 1}P{sub 1}{sup o}, (6s7p){sup 1}P{sub 1}{sup o}, and (6s5d){sup 1}D{sub 2}{sup e} for a range of incident electron energies. We also present calculations of the total cross section, and angle-differential Stokes parameters for excitation of the (6s6p){sup 3}P{sub 1}{sup o} state from the ground state. A comparison is made with the relativistic distorted-wave method and experiments.

  4. Ground state of the universe in quantum cosmology

    NASA Astrophysics Data System (ADS)

    Gorobey, Natalia; Lukyanenko, Alexander

    2016-01-01

    We find a physical state of a closed universe with the minimal excitation of the universe expansion energy in quantum gravity. It is an analog of the vacuum state of the ordinary quantum field theory in the Minkowsky space, but in our approach an energy of space of a closed universe together with the energy of its matter content are minimized. This ground state is chosen among an enlarged set of physical states, compared with the ordinary covariant quantum gravity. In our approach, physical states are determined by weak constraints: quantum mechanical averages of gravitational constraint operators equal zero. As a result, they appear to be non-static in such a modification of quantum gravity. Quantum dynamics of the universe is described by Schrödinger equation with a cosmic time determined by weak gravitational constraints. In order to obtain the observed megascopic universe with the inflation stage just after its quantum beginning, a lot of the energy in the form of the inflaton scalar field condensate is prescribed to the initial state. Parameters of the initial state for a homogeneous model of the universe are calculated.

  5. Photoionization of Fe7+ from the ground and metastable states

    NASA Astrophysics Data System (ADS)

    Tayal, S. S.; Zatsarinny, O.

    2015-01-01

    The B -spline Breit-Pauli R -matrix method is used to investigate the photoionization of Fe7 + from the ground and metastable states in the energy region from ionization thresholds to 172 eV. The present calculations were designed to resolve the large discrepancies between recent measurements and available theoretical results. The multiconfiguration Hartree-Fock method in connection with B -spline expansions is employed for an accurate representation of the initial- and final-state wave functions. The close-coupling expansion includes 99 fine-structure levels of the residual Fe8 + ion in the energy region up to 3 s23 p54 s states. It includes levels of the 3 s23 p6,3 s23 p53 d ,3 s23 p54 s , and 3 s 3 p63 d configurations and some levels of the 3 s23 p43 d2 configuration which lie in the energy region under investigation. The present photoionization cross sections in the length and velocity formulations exhibit excellent agreement. The present photoionization cross sections agree well with the Breit-Pauli R -matrix calculation by Sossah et al. and the TOPbase data in the magnitude of the background nonresonant cross sections but show somewhat richer resonance structures, which qualitatively agree with the measurements. The calculated cross sections, however, are several times lower than the measured cross sections, depending upon the photon energy. The cross sections for photoionization of metastable states were found to have approximately the same magnitude as the cross sections for photoionization of the ground state, thereby the presence of metastable states in the ion beam may not be the reason for the enhancement of the measured cross sections.

  6. Spatial competition of the ground states in 1111 iron pnictides

    NASA Astrophysics Data System (ADS)

    Lang, G.; Veyrat, L.; Gräfe, U.; Hammerath, F.; Paar, D.; Behr, G.; Wurmehl, S.; Grafe, H.-J.

    2016-07-01

    Using nuclear quadrupole resonance, the phase diagram of 1111 R FeAsO1 -xFx (R =La , Ce, Sm) iron pnictides is constructed as a function of the local charge distribution in the paramagnetic state, which features low-doping-like (LD-like) and high-doping-like (HD-like) regions. Compounds based on magnetic rare earths (Ce, Sm) display a unified behavior, and comparison with La-based compounds reveals the detrimental role of static iron 3 d magnetism on superconductivity, as well as a qualitatively different evolution of the latter at high doping. It is found that the LD-like regions fully account for the orthorhombicity of the system, and are thus the origin of any static iron magnetism. Orthorhombicity and static magnetism are not hindered by superconductivity but limited by dilution effects, in agreement with two-dimensional (2D) (respectively three-dimensional) nearest-neighbor square lattice site percolation when the rare earth is nonmagnetic (respectively magnetic). The LD-like regions are not intrinsically supportive of superconductivity, contrary to the HD-like regions, as evidenced by the well-defined Uemura relation between the superconducting transition temperature and the superfluid density when accounting for the proximity effect. This leads us to propose a complete description of the interplay of ground states in 1111 pnictides, where nanoscopic regions compete to establish the ground state through suppression of superconductivity by static magnetism, and extension of superconductivity by proximity effect.

  7. Ground state solutions for non-autonomous fractional Choquard equations

    NASA Astrophysics Data System (ADS)

    Chen, Yan-Hong; Liu, Chungen

    2016-06-01

    We consider the following nonlinear fractional Choquard equation, {(‑Δ)su+u=(1+a(x))(Iα ∗ (|u| p))|u| p‑2uin RN,u(x)→0as |x|→∞, here s\\in (0,1) , α \\in (0,N) , p\\in ≤ft[2,∞ \\right) and \\frac{N-2s}{N+α}<\\frac{1}{p}<\\frac{N}{N+α} . Assume {{\\lim}|x|\\to ∞}a(x)=0 and satisfying suitable assumptions but not requiring any symmetry property on a(x), we prove the existence of ground state solutions for (0.1).

  8. Unparticle contribution to the hydrogen atom ground state energy

    NASA Astrophysics Data System (ADS)

    Wondrak, Michael F.; Nicolini, Piero; Bleicher, Marcus

    2016-08-01

    In the present work we study the effect of unparticle modified static potentials on the energy levels of the hydrogen atom. By using Rayleigh-Schrödinger perturbation theory, we obtain the energy shift of the ground state and compare it with experimental data. Bounds on the unparticle energy scale ΛU as a function of the scaling dimension dU and the coupling constant λ are derived. We show that there exists a parameter region where bounds on ΛU are stringent, signaling that unparticles could be tested in atomic physics experiments.

  9. All-optical reconstruction of atomic ground-state population

    NASA Astrophysics Data System (ADS)

    London, P.; Firstenberg, O.; Shuker, M.; Ron, A.

    2010-04-01

    The population distribution within the ground state of an atomic ensemble is of great significance in a variety of quantum-optics processes. We present a method to reconstruct the detailed population distribution from a set of absorption measurements with various frequencies and polarizations, by utilizing the differences between the dipole matrix elements of the probed transitions. The technique is experimentally implemented on a thermal rubidium vapor, demonstrating a population-based analysis in two optical-pumping examples. The results are used to verify and calibrate an elaborated numerical model, and the limitations of the reconstruction scheme, which result from the symmetry properties of the dipole matrix elements, are discussed.

  10. Ground state of a confined Yukawa plasma including correlation effects

    NASA Astrophysics Data System (ADS)

    Henning, C.; Ludwig, P.; Filinov, A.; Piel, A.; Bonitz, M.

    2007-09-01

    The ground state of an externally confined one-component Yukawa plasma is derived analytically using the local density approximation (LDA). In particular, the radial density profile is computed. The results are compared with the recently obtained mean-field (MF) density profile [Henning , Phys. Rev. E 74, 056403 (2006)]. While the MF results are more accurate for weak screening, the LDA with correlations included yields the proper description for large screening. By comparison with first-principles simulations for three-dimensional spherical Yukawa crystals, we demonstrate that the two approximations complement each other. Together they accurately describe the density profile in the full range of screening parameters.

  11. Ground state properties of alkali and alkaline-earth hydrides

    NASA Astrophysics Data System (ADS)

    Fuentealba, P.; Reyes, O.; Stoll, H.; Preuss, H.

    1987-11-01

    The ground state potential energy curves of alkali (LiH to CsH) and alkaline-earth monohydrides (BeH to BaH) have been calculated. A pseudopotential formalism including a core-polarization potential has been used. For the valence correlation energy, two different methods, the local spin-density functional and the configuration interaction with single and double excitations, have been employed. Dissociation energies, bond lengths, vibrational frequencies, anharmonicity constants, and dipole moments are reported. The agreement with experimental values, where available, is very good. A discussion and a comparison with other theoretical values, at different levels of approximation, are also included.

  12. Ground-state energetics of helium and deuterium fermion fluids

    NASA Astrophysics Data System (ADS)

    Krotscheck, E.; Smith, R. A.; Clark, J. W.; Panoff, R. M.

    1981-12-01

    The method of correlated basis functions (CBF) is applied to the evaluation of the ground-state energy of atomic fermion fluids as a function of density. As a first step, liquid 3He in both unpolarized and fully polarized spin configurations is considered variationally, using Slater-Jastrow trial wave functions. Results are reported for a conventional analytic choice of the state-independent two-body correlation function f(r) and for the optimal f(r) determined by the solution of a suitable Euler equation. The Jastrow treatment is found to be inadequate in that (i) the energy expectation value lies above the experimental equilibrium energy by some 1.5 K, and (ii) the polarized phase is predicted to be more stable than the unpolarized one. For a given polarization, a correlated basis is formed by application of the assumed Jastrow correlation factor to the elements of a complete set of noninteracting-Fermi-gas Slater determinants. The exact ground-state energy may be developed in a perturbation expansion in the correlated basis, the leading term being the Jastrow energy expectation value. Considerable improvement on the Jastrow description of the unpolarized phase is achieved upon inclusion of the correlated two-particle-two-hole component of the second-order CBF perturbation correction. At the experimental equilibrium density, this contribution, which incorporates important momentum- and spin-dependent correlations, can amount to some 0.6-1.1 K [depending on the choice of f(r)]. The required correlated-basis matrix elements are calculated by Fermi hypernetted-chain (FHNC) techniques, crucial Pauli effects of the elementary diagrams being introduced through the FHNC/C algorithm. The Euler equation is approximated within the same framework. The momentum-space integrations in the second-order perturbation correction are evaluated by a Monte Carlo procedure. One may reasonably expect that further refinements of the CBF method will lead to an accurate microscopic

  13. Nanoparticle size and shape characterization with Solid State Nanopores

    NASA Astrophysics Data System (ADS)

    Nandivada, Santoshi; Benamara, Mourad; Li, Jiali

    2015-03-01

    Solid State Nanopores are widely used in a variety of single molecule studies including DNA and biomolecule detection based on the principle of Resistive Pulse technique. This technique is based on electrophoretically driving charged particles through 35-60 nm solid state nanopores. The translocation of these particles produces current blockage events that provide an insight to the properties of the translocation particles and the nanopore. In this work we study the current blockage events produced by ~ 30nm negatively charged PS nanoparticles through Silicon Nitride solid state nanopores. We show how the current blockage amplitudes and durations are related to the ratio of the volume of the particle to the volume of the pore, the shape of the particle, charge of the particle and the nanopore surface, salt concentration, solution pH, and applied voltage. The solid-state nanopores are fabricated by a combination of Focus Ion Beam and low energy Ion beams in silicon nitride membranes. High resolution TEM is used to measure the 3D geometry of the nanopores and a finite element analysis program (COMSOL) is used to simulate the experimental results.

  14. Ground states of partially connected binary neural networks

    NASA Technical Reports Server (NTRS)

    Baram, Yoram

    1990-01-01

    Neural networks defined by outer products of vectors over (-1, 0, 1) are considered. Patterns over (-1, 0, 1) define by their outer products partially connected neural networks consisting of internally strongly connected, externally weakly connected subnetworks. Subpatterns over (-1, 1) define subnetworks, and their combinations that agree in the common bits define permissible words. It is shown that the permissible words are locally stable states of the network, provided that each of the subnetworks stores mutually orthogonal subwords, or, at most, two subwords. It is also shown that when each of the subnetworks stores two mutually orthogonal binary subwords at most, the permissible words, defined as the combinations of the subwords (one corresponding to each subnetwork), that agree in their common bits are the unique ground states of the associated energy function.

  15. Cloning and variation of ground state intestinal stem cells.

    PubMed

    Wang, Xia; Yamamoto, Yusuke; Wilson, Lane H; Zhang, Ting; Howitt, Brooke E; Farrow, Melissa A; Kern, Florian; Ning, Gang; Hong, Yue; Khor, Chiea Chuen; Chevalier, Benoit; Bertrand, Denis; Wu, Lingyan; Nagarajan, Niranjan; Sylvester, Francisco A; Hyams, Jeffrey S; Devers, Thomas; Bronson, Roderick; Lacy, D Borden; Ho, Khek Yu; Crum, Christopher P; McKeon, Frank; Xian, Wa

    2015-06-11

    Stem cells of the gastrointestinal tract, pancreas, liver and other columnar epithelia collectively resist cloning in their elemental states. Here we demonstrate the cloning and propagation of highly clonogenic, 'ground state' stem cells of the human intestine and colon. We show that derived stem-cell pedigrees sustain limited copy number and sequence variation despite extensive serial passaging and display exquisitely precise, cell-autonomous commitment to epithelial differentiation consistent with their origins along the intestinal tract. This developmentally patterned and epigenetically maintained commitment of stem cells is likely to enforce the functional specificity of the adult intestinal tract. Using clonally derived colonic epithelia, we show that toxins A or B of the enteric pathogen Clostridium difficile recapitulate the salient features of pseudomembranous colitis. The stability of the epigenetic commitment programs of these stem cells, coupled with their unlimited replicative expansion and maintained clonogenicity, suggests certain advantages for their use in disease modelling and regenerative medicine. PMID:26040716

  16. Helimagnons in a chiral ground state of the pyrochlore antiferromagnets

    NASA Astrophysics Data System (ADS)

    Choi, Eunsong; Chern, Gia-Wei; Perkins, Natalia B.

    2013-02-01

    The Goldstone mode in a helical magnetic phase, also known as the helimagnon, is a propagating mode with a highly anisotropic dispersion relation. Here we study theoretically the magnetic excitations in a complex chiral ground state of pyrochlore antiferromagnets such as spinel CdCr2O4 and itinerant magnet YMn2. We show that the effective theory of the soft modes in the helical state possesses a symmetry similar to that of smectic liquid crystals. An overall agreement is obtained between experiments and our dynamics simulations with realistic model parameters. By exactly diagonalizing the linearized Landu-Lifshitz equation in various commensurate limits of the spiral order, we find a low-energy dispersion relation characteristic of the helimagnons. Our calculation thus reveals the first example of helimagnon excitations in geometrically frustrated spin systems.

  17. Photoionization of potassium atoms from the ground and excited states

    SciTech Connect

    Zatsarinny, O.; Tayal, S. S.

    2010-04-15

    The Dirac-based B-spline R-matrix method is used to investigate the photoionization of atomic potassium from the 4s ground and 4p, 5s-7s, 3d-5d excited states. The effect of the core polarization by the outer electron is included through the polarized pseudostates. Besides the dipole core polarization, we also found a noticeable influence of the quadrupole core polarization. We obtained excellent agreement with experiment for cross sections of the 4s photoionization, including accurate description of the near-threshold Cooper-Seaton minimum. We also obtained close agreement with experiment for the 4p photoionization, but there are unexpectedly large discrepancies with available experimental data for photoionization of the 5d and 7s excited states.

  18. Nuclear Magnetic Moment of the {sup 57}Cu Ground State

    SciTech Connect

    Minamisono, K.; Mertzimekis, T.J.; Pereira, J.; Mantica, P.F.; Pinter, J.S.; Stoker, J.B.; Tomlin, B.E.; Weerasiri, R.R.; Davies, A.D.; Hass, M.; Rogers, W.F.

    2006-03-17

    The nuclear magnetic moment of the ground state of {sup 57}Cu(I{sup {pi}}=3/2{sup -},T{sub 1/2}=196.3 ms) has been measured to be vertical bar {mu}({sup 57}Cu) vertical bar =(2.00{+-}0.05){mu}{sub N} using the {beta}-NMR technique. Together with the known magnetic moment of the mirror partner {sup 57}Ni, the spin expectation value was extracted as <{sigma}{sigma}{sub z}>=-0.78{+-}0.13. This is the heaviest isospin T=1/2 mirror pair above the {sup 40}Ca region for which both ground state magnetic moments have been determined. The discrepancy between the present results and shell-model calculations in the full fp shell giving {mu}({sup 57}Cu){approx}2.4{mu}{sub N} and <{sigma}{sigma}{sub z}>{approx}0.5 implies significant shell breaking at {sup 56}Ni with the neutron number N=28.

  19. Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers

    SciTech Connect

    Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H.; Okamoto, Satoshi; Xiao, Di

    2015-06-16

    Layered transition-metal trichalcogenides with the chemical formula ABX3 have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we investigate the magnetic ground states of monolayers of Mn- and Cr-based semiconducting trichalcogenides.We show that the second and third nearest-neighbor exchange interactions (J2 and J3) between magnetic ions, which have been largely overlooked in previous theoretical studies, are crucial in determining the magnetic ground state. Specifically, we find that monolayer CrSiTe3 is an antiferromagnet with a zigzag spin texture due to significant contribution from J3, whereas CrGeTe3 is a ferromagnet with a Curie temperature of 106 K. Monolayers of Mn compounds (MnPS3 and MnPSe3) always show antiferromagnetic N eel order. We identify the physical origin of various exchange interactions, and demonstrate that strain can be an effective knob for tuning the magnetic properties. Possible magnetic ordering in the bulk is also discussed. In conclusion, our study suggests that ABX3 can be a promising platform to explore two-dimensional magnetic phenomena.

  20. Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers

    DOE PAGESBeta

    Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H.; Okamoto, Satoshi; Xiao, Di

    2015-06-16

    Layered transition-metal trichalcogenides with the chemical formula ABX3 have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we investigate the magnetic ground states of monolayers of Mn- and Cr-based semiconducting trichalcogenides.We show that the second and third nearest-neighbor exchange interactions (J2 and J3) between magnetic ions, which have been largely overlooked in previous theoretical studies, are crucial in determining the magnetic ground state. Specifically, we find that monolayer CrSiTe3 is an antiferromagnet with a zigzag spin texture due to significant contribution from J3, whereas CrGeTe3 is a ferromagnet with a Curie temperaturemore » of 106 K. Monolayers of Mn compounds (MnPS3 and MnPSe3) always show antiferromagnetic N eel order. We identify the physical origin of various exchange interactions, and demonstrate that strain can be an effective knob for tuning the magnetic properties. Possible magnetic ordering in the bulk is also discussed. In conclusion, our study suggests that ABX3 can be a promising platform to explore two-dimensional magnetic phenomena.« less

  1. Ground-State of the Bose-Hubbard Model

    NASA Astrophysics Data System (ADS)

    Mancini, J. D.; Fessatidis, V.; Bowen, S. P.; Murawski, R. K.; Maly, J.

    The Bose-Hubbard Model represents a s simple theoretical model to describe the physics of interacting Boson systems. In particular it has proved to be an effective description of a number of physical systems such as arrays of Josephson arrays as well as dilute alkali gases in optical lattices. Here we wish to study the ground-state of this system using two disparate but related moments calculational schemes: the Lanczos (tridiagonal) method as well as a Generalized moments approach. The Hamiltonian to be studied is given by (in second-quantized notation): H = - t ∑ < i , j > bi†bj +U/2 ∑ inini - 1 - μ ∑ ini . Here i is summed over all lattice sites, and < i , j > denotes summation over all neighbhoring sites i and j, while bi† and bi are bosonic creation and annihilation operators. ni = bi†bi gives the number of particles on site i. Parameter t is the hopping amplitude, describing mobility of bosons in the lattice. Parameter U describes the on-site interaction, repulsive, if U > 0 , and attractive for U < 0 . μ is the chemical potential. Both the ground-state energy and energy gap are evaluated as a function of t, U and μ.

  2. Ground state for CH2 and symmetry for methane decomposition

    NASA Astrophysics Data System (ADS)

    Zhang, Li; Luo, Wen-Lang; Ruan, Wen; Jiang, Gang; Zhu, Zheng-He

    2008-06-01

    Using the different level of methods B3P86, BLYP, B3PW91, HF, QCISD, CASSCF (4,4) and MP2 with the various basis functions 6-311G**, D95, cc-pVTZ and DGDZVP, the calculations of this paper confirm that the ground state is tilde X3B1 with C2v group for CH2. Furthermore, the three kinds of theoretical methods, i.e. B3P86, CCSD(T, MP4) and G2 with the same basis set cc-pVTZ only are used to recalculate the zero-point energy revision which are modified by scaling factor 0.989 for the high level based on the virial theorem, and also with the correction for basis set superposition error. These results are also contrary to tilde X3Σ-g for the ground state of CH2 in reference. Based on the atomic and molecular reaction statics, this paper proves that the decomposition type (1) i.e. CH4 → CH2+H2, is forbidden and the decomposition type (2) i.e. CH4 → CH3+H is allowed for CH4. This is similar to the decomposition of SiH4.

  3. The ground state far infrared spectrum of NH3

    NASA Technical Reports Server (NTRS)

    Poynter, R. L.; Margolis, J. S.

    1983-01-01

    The NH3 far infrared spectrum is particularly useful for the study of planetary composition and atmospheric dynamics. Studies of this spectrum were conducted by Dowling (1969), Helminger et al. (1971), and Urban et al. (1981). Sattler et al. (1981) have reported measurements of a few nu2 lines with tunable diode lasers. By using simple sum rules, these lines and accurate ground state inversion lines considered by Poynter and Kakar (1975) have been employed in the present investigation to deduce a few of the far infrared ground state transitions. An extensive set of high signal/noise, high resolution (0.0048 per cm) scans of the nu2 bands of NH3 from about 600 per cm through about 1300 per cm ait a series of low pressures have been made in order to accurately determine both the line positions and strengths. The obtained data provide line positions with an absolute accuracy of about 0.0001 per cm in the more favorable cases.

  4. The valence-fluctuating ground state of plutonium

    DOE PAGESBeta

    Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; et al

    2015-07-10

    A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise because of the competition of localized and itinerant electronic degrees of freedom. Although the respective limits of well-localized or entirely itinerant ground states are well understood, the intermediate regime that controls the functional properties of complex materials continues to challenge theoretical understanding. We have used neutron spectroscopy to investigate plutonium, which is a prototypical material at the brink between bonding and nonbonding configurations. In addition, our study reveals that the ground state of plutonium is governed bymore » valence fluctuations, that is, a quantum mechanical superposition of localized and itinerant electronic configurations as recently predicted by dynamical mean field theory. Our results not only resolve the long-standing controversy between experiment and theory on plutonium’s magnetism but also suggest an improved understanding of the effects of such electronic dichotomy in complex materials.« less

  5. On the nature of the oligoacene ground state

    NASA Astrophysics Data System (ADS)

    Hachmann, Johannes; Dorando, Jonathan; Aviles, Michael; Kin-Lic Chan, Garnet

    2007-03-01

    The nature of the oligoacene ground state - its spin, singlet-triplet gap, and diradical character as a function of chain-length - is a question of ongoing theoretical and experimental interest with notable technological implications. Previous computational studies have given inconclusive answers to this challenging electronic structure problem (see e.g. [1]). In the present study we exploit the capabilities of the local ab initio Density Matrix Renormalization Group (DMRG) [2], which allows the numerically exact (FCI) solution of the Schr"odinger equation in a chosen 1-particle basis and active space for quasi-one-dimensional systems. We compute the singlet-triplet gap from first principles as a function of system length ranging from naphthalene to tetradecacene, correlating the full π-space (i.e. up to 58 electrons in 58 orbitals) and converging the results to a few μEh accuracy [3]. In order to study the diradical nature of the oligoacene ground state we calculate expectation values over different diradical occupation and pair-correlation operators. Furthermore we study the natural orbitals and their occupation. [1] Bendikov, Duong, Starkey, Houk, Carter, Wudl, JACS 126 (2004), 7416. [2] Hachmann, Cardoen, Chan, JCP 125 (2006), 144101. [3] Hachmann, Dorando, Avil'es, Chan, in preparation.

  6. Ground-state phase diagram of the quantum Rabi model

    NASA Astrophysics Data System (ADS)

    Ying, Zu-Jian; Liu, Maoxin; Luo, Hong-Gang; Lin, Hai-Qing; You, J. Q.

    2015-11-01

    The Rabi model plays a fundamental role in understanding light-matter interaction. It reduces to the Jaynes-Cummings model via the rotating-wave approximation, which is applicable only to the cases of near resonance and weak coupling. However, recent experimental breakthroughs in upgrading light-matter coupling order require understanding the physics of the full quantum Rabi model (QRM). Despite the fact that its integrability and energy spectra have been exactly obtained, the challenge to formulate an exact wave function in a general case still hinders physical exploration of the QRM. Here we unveil a ground-state phase diagram of the QRM, consisting of a quadpolaron and a bipolaron as well as their changeover in the weak-, strong-, and intermediate-coupling regimes, respectively. An unexpected overweighted antipolaron is revealed in the quadpolaron state, and a hidden scaling behavior relevant to symmetry breaking is found in the bipolaron state. An experimentally accessible parameter is proposed to test these states, which might provide novel insights into the nature of the light-matter interaction for all regimes of the coupling strengths.

  7. Stability of quantum-dot excited-state laser emission under simultaneous ground-state perturbation

    SciTech Connect

    Kaptan, Y. Herzog, B.; Schöps, O.; Kolarczik, M.; Woggon, U.; Owschimikow, N.; Röhm, A.; Lingnau, B.; Lüdge, K.; Schmeckebier, H.; Arsenijević, D.; Bimberg, D.; Mikhelashvili, V.; Eisenstein, G.

    2014-11-10

    The impact of ground state amplification on the laser emission of In(Ga)As quantum dot excited state lasers is studied in time-resolved experiments. We find that a depopulation of the quantum dot ground state is followed by a drop in excited state lasing intensity. The magnitude of the drop is strongly dependent on the wavelength of the depletion pulse and the applied injection current. Numerical simulations based on laser rate equations reproduce the experimental results and explain the wavelength dependence by the different dynamics in lasing and non-lasing sub-ensembles within the inhomogeneously broadened quantum dots. At high injection levels, the observed response even upon perturbation of the lasing sub-ensemble is small and followed by a fast recovery, thus supporting the capacity of fast modulation in dual-state devices.

  8. First resonant tunneling via a light-hole ground state

    NASA Astrophysics Data System (ADS)

    Lampin, J. F.; Mollot, F.

    1998-07-01

    We report the demonstration of resonant tunneling of light-holes through an AlAs/GaAs 0.7P 0.3 double-barrier heterostructure. The tensile strain in the quantum well reverses the order of the light- and heavy-hole levels, the first light-hole level becoming the ground state. The I( V) characteristics are measured at different temperatures and compared to those of a standard AlAs/GaAs unstrained structure. The peak current density of the first light-hole resonance and its peak-to-valley current ratio are enhanced. They reach 28 A/cm 2 and 3.4 : 1 at 15 K. A negative differential resistance is observed up to 250 K.

  9. Masses of Ground- and Excited-State Hadrons

    NASA Astrophysics Data System (ADS)

    Roberts, Hannes L. L.; Chang, Lei; Cloët, Ian C.; Roberts, Craig D.

    2011-07-01

    We present the first Dyson-Schwinger equation calculation of the light hadron spectrum that simultaneously correlates the masses of meson and baryon ground- and excited-states within a single framework. At the core of our analysis is a symmetry-preserving treatment of a vector-vector contact interaction. In comparison with relevant quantities the root-mean-square-relative-error/degree-of freedom is 13%. Notable amongst our results is agreement between the computed baryon masses and the bare masses employed in modern dynamical coupled-channels models of pion-nucleon reactions. Our analysis provides insight into numerous aspects of baryon structure; e.g., relationships between the nucleon and Δ masses and those of the dressed-quark and diquark correlations they contain.

  10. a New Phenomenological Formula for Ground-State Binding Energies

    NASA Astrophysics Data System (ADS)

    Gangopadhyay, G.

    A phenomenological formula based on liquid drop model has been proposed for ground-state binding energies of nuclei. The effect due to bunching of single particle levels has been incorporated through a term resembling the one-body Hamiltonian. The effect of n-p interaction has been included through a function of valence nucleons. A total of 50 parameters has been used in the present calculation. The root mean square (r.m.s.) deviation for the binding energy values for 2140 nuclei comes out to be 0.376 MeV, and that for 1091 alpha decay energies is 0.284 MeV. The correspondence with the conventional liquid drop model is discussed.

  11. Antiferromagnetic Spin-S Chains with Exactly Dimerized Ground States

    NASA Astrophysics Data System (ADS)

    Michaud, Frédéric; Vernay, François; Manmana, Salvatore R.; Mila, Frédéric

    2012-03-01

    We show that spin S Heisenberg spin chains with an additional three-body interaction of the form (Si-1·Si)(Si·Si+1)+H.c. possess fully dimerized ground states if the ratio of the three-body interaction to the bilinear one is equal to 1/[4S(S+1)-2]. This result generalizes the Majumdar-Ghosh point of the J1-J2 chain, to which the present model reduces for S=1/2. For S=1, we use the density matrix renormalization group method to show that the transition between the Haldane and the dimerized phases is continuous with a central charge c=3/2. Finally, we show that such a three-body interaction appears naturally in a strong-coupling expansion of the Hubbard model, and we discuss the consequences for the dimerization of actual antiferromagnetic chains.

  12. Tensor Forces and the Ground-State Structure of Nuclei

    SciTech Connect

    Rocco Schiavilla

    2007-03-01

    Two-nucleon momentum distributions are calculated for the ground states of nuclei with mass number A {le} 8, using accurate variational Monte Carlo wave functions derived from a realistic Hamiltonian with two- and three-nucleon potentials. The momentum distribution of 'np' pairs is found to be much larger than that of 'pp' pairs for values of the relative momentum in the range (300--600) MeV/c and vanishing total momentum. This large difference, more than an order of magnitude, is seen in all nuclei considered, and has a universal character originating from the tensor components present in any realistic nucleon-nucleon potential. The correlations induced by the tensor force strongly influence the structure of 'np' pairs, which are known to be predominantly in deuteron-like states, while they are ineffective for 'pp' pairs, which are mostly in {sup 1}S{sub 0} states. These features should be easily observable in two-nucleon knock-out processes, for example in A(e,e{prime} np) and A(e,e{prime} pp) reactions.

  13. Tensor Forces and the Ground-State Structure of Nuclei

    SciTech Connect

    Schiavilla, R.; Wiringa, R. B.; Pieper, Steven C.; Carlson, J.

    2007-03-30

    Two-nucleon momentum distributions are calculated for the ground states of nuclei with mass number A{<=}8, using variational Monte Carlo wave functions derived from a realistic Hamiltonian with two- and three-nucleon potentials. The momentum distribution of np pairs is found to be much larger than that of pp pairs for values of the relative momentum in the range (300-600) MeV/c and vanishing total momentum. This order of magnitude difference is seen in all nuclei considered and has a universal character originating from the tensor components present in any realistic nucleon-nucleon potential. The correlations induced by the tensor force strongly influence the structure of np pairs, which are predominantly in deuteronlike states, while they are ineffective for pp pairs, which are mostly in {sup 1}S{sub 0} states. These features should be easily observable in two-nucleon knockout processes, such as A(e,e{sup '}np) and A(e,e{sup '}pp)

  14. Ground States of a Disordered Frustrated Quantum Dimer Magnet

    NASA Astrophysics Data System (ADS)

    Hristov, Alexander; Shapiro, Maxwell; Fisher, Ian; Lee, Minseong; Rodenbach, Linsey; Bernheisel, Ashley; Choi, Eun Sang; Park, Ju-Hyun; Civale, Leonardo; Munsie, Tim; Luke, Graeme

    2015-03-01

    We present results of thermodynamic measurements of the site-diluted spin-dimer magnet Ba3 (Mn1-xVx)2 O8, including magnetization, torque magnetometry, and AC susceptibility. The parent compound Ba3Mn2O8 is a frustrated S = 1 quantum dimer-magnet with a singlet ground state, and triplet and quintuplet excitations. A magnetic field can be used to tune the energy spectrum of this system, yielding successive triplet and quintuplet condensates at low temperatures. Site substitution with S = 0 V breaks Mn-dimers, introducing site disorder into the high-field ordered states. This substitution also introduces unpaired S = 1 Mn ions, and it has been an open question whether such spins order at low temperatures. Here, we present evidence of the spin-freezing of unpaired Mn ions below 240mK for all compositions measured, from x=0.05 to 0.85. We also present the evolution of the high field ordered state with increasing disorder. NSF DMR-Award 1205165.

  15. Electron excitation from ground state to first excited state: Bohmian mechanics method

    NASA Astrophysics Data System (ADS)

    Yang, Song; Shuang, Zhao; Fu-Ming, Guo; Yu-Jun, Yang; Su-Yu, Li

    2016-03-01

    The excitation process of electrons from the ground state to the first excited state via the resonant laser pulse is investigated by the Bohmian mechanics method. It is found that the Bohmian particles far away from the nucleus are easier to be excited and are excited firstly, while the Bohmian particles in the ground state is subject to a strong quantum force at a certain moment, being excited to the first excited state instantaneously. A detailed analysis for one of the trajectories is made, and finally we present the space and energy distribution of 2000 Bohmian particles at several typical instants and analyze their dynamical process at these moments. Project supported by the Doctoral Research Start-up Funding of Northeast Dianli University, China (Grant No. BSJXM-201332), the National Natural Science Foundation of China (Grant Nos. 11547114, 11534004, 11474129, 11274141, 11447192, and 11304116), and the Graduate Innovation Fund of Jilin University, China (Grant No. 2015091).

  16. Antiferromagnetic ground state in NpCoGe

    NASA Astrophysics Data System (ADS)

    Colineau, E.; Griveau, J.-C.; Eloirdi, R.; Gaczyński, P.; Khmelevskyi, S.; Shick, A. B.; Caciuffo, R.

    2014-03-01

    NpCoGe, the neptunium analog of the ferromagnetic superconductor UCoGe, has been investigated by dc magnetization, ac susceptibility, specific heat, electrical resistivity, Hall effect, 237Np Mössbauer spectroscopy, and local spin-density approximation (LSDA) calculations. NpCoGe exhibits an antiferromagnetic ground state with a Néel temperature TN≈13 K and an average ordered magnetic moment <μNp>=0.80μB. The magnetic phase diagram has been determined and shows that the antiferromagnetic structure is destroyed by the application of a magnetic field (≈3 T). The value of the isomer shift suggests a Np3+ charge state (configuration 5f4). A high Sommerfeld coefficient value for NpCoGe (170 mJ mol-1 K-2) is inferred from specific heat. LSDA calculations indicate strong magnetic anisotropy and easy magnetization along the c axis. Mössbauer data and calculated exchange interactions support the possible occurrence of an elliptical spin-spiral structure in NpCoGe. The comparison with NpRhGe and uranium analogs suggests the leading role of 5f-d hybridization, the rather delocalized character of 5f electrons in NpCoGe, and the possible proximity of NpRuGe or NpFeGe to a magnetic quantum critical point.

  17. Tunable ground states in helical p-wave Josephson junctions

    NASA Astrophysics Data System (ADS)

    Cheng, Qiang; Zhang, Kunhua; Yu, Dongyang; Chen, Chongju; Zhang, Yinhan; Jin, Biao

    2016-07-01

    We study new types of Josephson junctions composed of helical p-wave superconductors with {k}x\\hat{x}+/- {k}y\\hat{y} and {k}y\\hat{x}+/- {k}x\\hat{y}-pairing symmetries using quasi-classical Green’s functions with generalized Riccati parametrization. The junctions can host rich ground states: π phase, 0 + π phase, φ 0 phase and φ phase. The phase transition can be tuned by rotating the magnetization in the ferromagnetic interface. We present the phase diagrams in the parameter space formed by the orientation of the magnetization or by the magnitude of the interfacial potentials. The selection rules for the lowest order current which are responsible for the formation of the rich phases are summarized from the current-phase relations based on the numerical calculation. We construct a Ginzburg–Landau type of free energy for the junctions with d-vectors and the magnetization, which not only reveals the interaction forms of spin-triplet superconductivity and ferromagnetism, but can also directly lead to the selection rules. In addition, the energies of the Andreev bound states and the novel symmetries in the current-phase relations are also investigated. Our results are helpful both in the prediction of novel Josephson phases and in the design of quantum circuits.

  18. Dissociative recombination of the ground state of N2(+)

    NASA Technical Reports Server (NTRS)

    Guberman, Steven L.

    1991-01-01

    Large-scale calculations of the dissociative recombination cross sections and rates for the v = 0 level of the N2(+) ground state are reported, and the important role played by vibrationally excited Rydberg states lying both below and above the v = 0 level of the ion is demonstrated. The large-scale electronic wave function calculations were done using triple zeta plus polarization nuclear-centered-valence Gaussian basis sets. The electronic widths were obtained using smaller wave functions, and the cross sections were calculated on the basis of the multichannel quantum defect theory. The DR rate is calculated at 1.6 x 10 to the -7th x (Te/300) to the -0.37 cu cm/sec for Te in the range of 100 to 1000 K, and is found to be in excellent agreement with prior microwave afterglow experiments but in disagreement with recent merged beam results. It is inferred that the dominant mechanism for DR imparts sufficient energy to the product atoms to allow for escape from the Martian atmosphere.

  19. All-Optical Scheme to Produce Quantum Degenerate Dipolar Molecules in the Vibronic Ground State

    NASA Astrophysics Data System (ADS)

    Mackie, Matt; Debrosse, Catherine

    2010-03-01

    We consider two-color heteronuclear photoassociation of Bose-condensed atoms into dipolar molecules in the J=1 vibronic ground state, where a free-ground laser couples atoms directly to the ground state and a free-bound laser couples the atoms to an electronically-excited state. The addition of the excited state creates a second pathway for creating ground state molecules, leading to quantum interference between direct photoassociation and photoassociation via the excited molecular state, as well as a dispersive-like shift of the free-ground resonance position. Using LiNa as an example, these results are shown to depend on the detuning and intensity of the free-bound laser, as well as the semi-classical size of both molecular states. Despite strong enhancement, coherent conversion to the LiNa vibronic ground state is possible only in a limited regime near the free-bound resonance.

  20. Zero-Point Fluctuations in the Nuclear Born-Oppenheimer Ground State

    NASA Astrophysics Data System (ADS)

    Zettili, Nouredine

    The small-amplitude oscillations of rigid nuclei around the equilibrium state are described by means of the nuclear Born-Oppenheimer (NBO) method. In this limit, the method is shown to give back the random phase approximation (RPA) equations of motion. The contribution of the zero-point fluctuations to the ground state are examined, and the NBO ground state energy derived is shown to be identical to the RPA ground state energy.

  1. Liquid ground state, gap, and excited states of a strongly correlated spin chain.

    PubMed

    Lesanovsky, Igor

    2012-03-01

    We present an exact solution of an experimentally realizable and strongly interacting one-dimensional spin system which is a limiting case of a quantum Ising model with long range interaction in a transverse and longitudinal field. Pronounced quantum fluctuations lead to a strongly correlated liquid ground state. For open boundary conditions the ground state manifold consists of four degenerate sectors whose quantum numbers are determined by the orientation of the edge spins. Explicit expressions for the entanglement properties, the exact excitation gap, as well as the exact wave functions for a couple of excited states are analytically derived and discussed. We outline how this system can be experimentally realized in a lattice gas of Rydberg atoms. PMID:22463419

  2. Natural generalization of the ground-state Slater determinant to more than one dimension

    NASA Astrophysics Data System (ADS)

    Sunko, D. K.

    2016-06-01

    The basic question is addressed of how the space dimension d is encoded in the Hilbert space of N identical fermions. There appears a finite number N !d-1 of many-body wave functions, called shapes, which cannot be generated by trivial combinatorial extension of the one-dimensional ones. A general algorithm is given to list them all in terms of standard Slater determinants. Conversely, excitations which can be induced from the one-dimensional case are bosonized into a system of distinguishable bosons, called Euler bosons, much like the electromagnetic field is quantized in terms of photons distinguishable by their wave numbers. Their wave functions are given explicitly in terms of elementary symmetric functions, reflecting the fact that the fermion sign problem is trivial in one dimension. The shapes act as vacua for the Euler bosons. They are the natural generalization of the single-Slater-determinant form for the ground state to more than one dimension. In terms of algebraic invariant theory, the shapes are antisymmetric invariants which finitely generate the N -fermion Hilbert space as a graded algebra over the ring of symmetric polynomials. Analogous results hold for identical bosons.

  3. Potholes and (In) Geography: Studying State Shapes in the Neighborhood

    ERIC Educational Resources Information Center

    Albert, Donald

    2015-01-01

    This activity is an amusing, but serious exploration into the idea of shapes for grades 4-8. Its purpose is to encourage students to begin thinking about shapes using concrete (and asphalt) examples from their immediate surroundings (i.e., street, block, neighborhood) while enhancing their mental image of world geography. Rather than allowing all…

  4. New Ground-State Crystal Structure of Elemental Boron.

    PubMed

    An, Qi; Reddy, K Madhav; Xie, Kelvin Y; Hemker, Kevin J; Goddard, William A

    2016-08-19

    Elemental boron exhibits many polymorphs in nature based mostly on an icosahedral shell motif, involving stabilization of 13 strong multicenter intraicosahedral bonds. It is commonly accepted that the most thermodynamic stable structure of elemental boron at atmospheric pressure is the β rhombohedral boron (β-B). Surprisingly, using high-resolution transmission electron microscopy, we found that pure boron powder contains grains of two different types, the previously identified β-B containing a number of randomly spaced twins and what appears to be a fully transformed twinlike structure. This fully transformed structure, denoted here as τ-B, is based on the Cmcm orthorhombic space group. Quantum mechanics predicts that the newly identified τ-B structure is 13.8  meV/B more stable than β-B. The τ-B structure allows 6% more charge transfer from B_{57} units to nearby B_{12} units, making the net charge 6% closer to the ideal expected from Wade's rules. Thus, we predict the τ-B structure to be the ground state structure for elemental boron at atmospheric pressure. PMID:27588864

  5. New Ground-State Crystal Structure of Elemental Boron

    NASA Astrophysics Data System (ADS)

    An, Qi; Reddy, K. Madhav; Xie, Kelvin Y.; Hemker, Kevin J.; Goddard, William A.

    2016-08-01

    Elemental boron exhibits many polymorphs in nature based mostly on an icosahedral shell motif, involving stabilization of 13 strong multicenter intraicosahedral bonds. It is commonly accepted that the most thermodynamic stable structure of elemental boron at atmospheric pressure is the β rhombohedral boron (β -B ). Surprisingly, using high-resolution transmission electron microscopy, we found that pure boron powder contains grains of two different types, the previously identified β -B containing a number of randomly spaced twins and what appears to be a fully transformed twinlike structure. This fully transformed structure, denoted here as τ -B , is based on the C m c m orthorhombic space group. Quantum mechanics predicts that the newly identified τ -B structure is 13.8 meV /B more stable than β -B . The τ -B structure allows 6% more charge transfer from B57 units to nearby B12 units, making the net charge 6% closer to the ideal expected from Wade's rules. Thus, we predict the τ -B structure to be the ground state structure for elemental boron at atmospheric pressure.

  6. Making classical ground-state spin computing fault-tolerant.

    PubMed

    Crosson, I J; Bacon, D; Brown, K R

    2010-09-01

    We examine a model of classical deterministic computing in which the ground state of the classical system is a spatial history of the computation. This model is relevant to quantum dot cellular automata as well as to recent universal adiabatic quantum computing constructions. In its most primitive form, systems constructed in this model cannot compute in an error-free manner when working at nonzero temperature. However, by exploiting a mapping between the partition function for this model and probabilistic classical circuits we are able to show that it is possible to make this model effectively error-free. We achieve this by using techniques in fault-tolerant classical computing and the result is that the system can compute effectively error-free if the temperature is below a critical temperature. We further link this model to computational complexity and show that a certain problem concerning finite temperature classical spin systems is complete for the complexity class Merlin-Arthur. This provides an interesting connection between the physical behavior of certain many-body spin systems and computational complexity. PMID:21230024

  7. Ground-state coding in partially connected neural networks

    NASA Technical Reports Server (NTRS)

    Baram, Yoram

    1989-01-01

    Patterns over (-1,0,1) define, by their outer products, partially connected neural networks, consisting of internally strongly connected, externally weakly connected subnetworks. The connectivity patterns may have highly organized structures, such as lattices and fractal trees or nests. Subpatterns over (-1,1) define the subcodes stored in the subnetwork, that agree in their common bits. It is first shown that the code words are locally stable stares of the network, provided that each of the subcodes consists of mutually orthogonal words or of, at most, two words. Then it is shown that if each of the subcodes consists of two orthogonal words, the code words are the unique ground states (absolute minima) of the Hamiltonian associated with the network. The regions of attraction associated with the code words are shown to grow with the number of subnetworks sharing each of the neurons. Depending on the particular network architecture, the code sizes of partially connected networks can be vastly greater than those of fully connected ones and their error correction capabilities can be significantly greater than those of the disconnected subnetworks. The codes associated with lattice-structured and hierarchical networks are discussed in some detail.

  8. Arsenic in Ground-Water Resources of the United States

    USGS Publications Warehouse

    Welch, Alan H.; Watkins, Sharon A.; Helsel, Dennis R.; Focazio, Michael J.

    2000-01-01

    Arsenic is a naturally occurring element in rocks, soils, and the waters in contact with them. Recognized as a toxic element for centuries, arsenic today also is a human health concern because it can contribute to skin, bladder, and other cancers (National Research Council, 1999). Recently, the National Research Council (1999) recommended lowering the current maximum contaminant level (MCL) allowed for arsenic in drinking water of 50 ?g/L (micrograms per liter), citing risks for developing bladder and other cancers. The U.S. Environmental Protection Agency (USEPA) will propose a new, and likely lower, arsenic MCL during 2000 (U.S. Environmental Protection Agency, 2000). This fact sheet provides information on where and to what extent natural concentrations of arsenic in ground water exceed possible new standards. The U.S. Geological Survey (USGS) has collected and analyzed arsenic in potable (drinkable) water from 18,850 wells in 595 counties across the United States during the past two decades. These wells are used for irrigation, industrial purposes, and research, as well as for public and private water supply. Arsenic concentrations in samples from these wells are similar to those found in nearby public supplies (see Focazio and others, 1999). The large number of samples, broad geographic coverage, and consistency of methods produce a more accurate and detailed picture of arsenic concentrations than provided by any previous studies.

  9. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

    PubMed

    Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

    2012-11-13

    The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed. PMID:26605574

  10. A ground state depleted laser in neodymium doped yttrium orthosilicate

    SciTech Connect

    Beach, R.; Albrecht, G.; Solarz, R.; Krupke, W.; Comaskey, B.; Mitchell, S.; Brandle, C.; Berkstresser, G.

    1990-01-16

    A ground state depleted (GSD){sup 1,2} laser has been demonstrated in the form of a Q-switched oscillator operating at 912 nm. Using Nd{sup 3+} as the active ion and Y{sub 2}SiO{sub 5} as the host material, the laser transition is from the lowest lying stark level of the Nd{sup 3t}F{sub 3/2} level to a stark level 355 cm{sup {minus}1} above the lowest lying one in the {sup 4}I{sub 9/2} manifold. The necessity of depleting the ground {sup 4}I{sub 9/2} manifold is evident for this level scheme as transparency requires a 10% inversion. To achieve the high excitation levels required for the efficient operation of this laser, bleach wave pumping using an alexandrite laser at 745 nm has been employed. The existence of a large absorption feature at 810 nm also allows for the possibility of AlGaAs laser diode pumping. Using KNbO{sub 3}, noncritical phase matching is possible at 140{degree}C using d{sub 32} and has been demonstrated. The results of Q-switched laser performance and harmonic generation in KNbO{sub 3} will be presented. Orthosilicate can be grown in large boules of excellent optical quality using a Czochralski technique. Because of the relatively small 912 nm emission cross section of 2-3 {times} 10{sup {minus}20} cm{sup 2} (orientation dependent) fluences of 10-20 J/cm{sup 2} must be circulated in the laser cavity for the efficient extraction of stored energy. This necessitates very aggressive laser damage thresholds. Results from the Reptile laser damage facility at Lawrence Livermore National Laboratory (LLNL) will be presented showing Y{sub 2}SiO{sub 5} bulk and AR sol-gel coated surface damage thresholds of greater than 40 J/cm{sup 2} for 10 nsec, 10 Hz, 1.06 {mu} pulses. 16 refs., 18 figs., 6 tabs.

  11. Ground Water Quality Protection. State and Local Strategies.

    ERIC Educational Resources Information Center

    National Academy of Sciences - National Research Council, Washington, DC. Commission on Physical Sciences, Mathematics, and Resources.

    Using regional case studies, this document examines representative programs for dealing with ground water contamination. Section one describes the ground water protection strategy of the U.S. Environmental Protection Agency (EPA); (2) discusses the limited data available for determining the extent of contamination; (3) provides a listing of the…

  12. Multiple Scattering Approach to Continuum State with Generally Shaped Potential

    SciTech Connect

    Hatada, Keisuke; Hayakawa, Kuniko; Tenore, Antonio; Benfatto, Maurizio; Natoli, Calogero

    2007-02-02

    We present a new scheme for solving the scattering problem for an arbitrarily shaped potential cell that avoids the well known convergence problems in the angular momentum expansion of the cell shape function. Tests of the method against analytically soluble separable model potentials, with and without shape truncation, have been performed with success. By a judicious choice of the shape of the cells partitioning the whole molecular space and use of empty cells when necessary, we set up a multiple scattering scheme that leads to a straightforward generalization of the same equations in the muffin-tin approximation. For example lmax in the angular momentum expansion can still be chosen according to the rule lmax {approx} kR, where R is the radius of the bounding sphere of the cell and all the matrices appearing in the theory are square matrices.

  13. Femtosecond stimulated Raman spectroscopy as a tool to detect molecular vibrations in ground and excited electronic states.

    PubMed

    Gelin, Maxim F; Domcke, Wolfgang; Rao, B Jayachander

    2016-05-14

    We give a detailed theoretical analysis of the simplest variant of femtosecond stimulated Raman spectroscopy, where a picosecond Raman pump pulse and a femtosecond Raman probe pulse are applied resonantly to a chromophore in thermal equilibrium in the ground electronic state. We demonstrate that this technique is capable of the detection of dephasing-free Raman-like lines revealing vibrational modes not only in the electronic ground state but also in the excited electronic state of the chromophore. The analytical results obtained with simplifying assumptions for the shape of the laser pulses are substantiated by numerical simulations with realistic laser pulses, employing the equation-of-motion phase-matching approach. PMID:27179484

  14. GSGPEs: A MATLAB code for computing the ground state of systems of Gross-Pitaevskii equations

    NASA Astrophysics Data System (ADS)

    Caliari, Marco; Rainer, Stefan

    2013-03-01

    GSGPEs is a Matlab/GNU Octave suite of programs for the computation of the ground state of systems of Gross-Pitaevskii equations. It can compute the ground state in the defocusing case, for any number of equations with harmonic or quasi-harmonic trapping potentials, in spatial dimension one, two or three. The computation is based on a spectral decomposition of the solution into Hermite functions and direct minimization of the energy functional through a Newton-like method with an approximate line-search strategy. Catalogue identifier: AENT_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AENT_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1417 No. of bytes in distributed program, including test data, etc.: 13673 Distribution format: tar.gz Programming language: Matlab/GNU Octave. Computer: Any supporting Matlab/GNU Octave. Operating system: Any supporting Matlab/GNU Octave. RAM: About 100 MB for a single three-dimensional equation (test run output). Classification: 2.7, 4.9. Nature of problem: A system of Gross-Pitaevskii Equations (GPEs) is used to mathematically model a Bose-Einstein Condensate (BEC) for a mixture of different interacting atomic species. The equations can be used both to compute the ground state solution (i.e., the stationary order parameter that minimizes the energy functional) and to simulate the dynamics. For particular shapes of the traps, three-dimensional BECs can be also simulated by lower dimensional GPEs. Solution method: The ground state of a system of Gross-Pitaevskii equations is computed through a spectral decomposition into Hermite functions and the direct minimization of the energy functional. Running time: About 30 seconds for a single three-dimensional equation with d.o.f. 40 for each spatial direction (test run output).

  15. Properties of the 7He ground state from 8He neutron knockout

    NASA Astrophysics Data System (ADS)

    Aksyutina, Yu.; Johansson, H. T.; Aumann, T.; Boretzky, K.; Borge, M. J. G.; Chatillon, A.; Chulkov, L. V.; Cortina-Gil, D.; Pramanik, U. Datta; Emling, H.; Forssén, C.; Fynbo, H. O. U.; Geissel, H.; Ickert, G.; Jonson, B.; Kulessa, R.; Langer, C.; Lantz, M.; LeBleis, T.; Lindahl, A. O.; Mahata, K.; Meister, M.; Münzenberg, G.; Nilsson, T.; Nyman, G.; Palit, R.; Paschalis, S.; Prokopowicz, W.; Reifarth, R.; Richter, A.; Riisager, K.; Schrieder, G.; Simon, H.; Sümmerer, K.; Tengblad, O.; Weick, H.; Zhukov, M. V.

    2009-08-01

    The unbound nucleus 7He, produced in neutron-knockout reactions with a 240 MeV/u 8He beam in a liquid-hydrogen target, has been studied in an experiment at the ALADIN-LAND setup at GSI. From an R-matrix analysis the resonance parameters for 7He as well as the spectroscopic factor for the 6He(0+) + n configuration in its ground-state have been obtained. The spectroscopic factor is 0.61 confirming that 7He is not a pure single-particle state. An analysis of 5He data from neutron-knockout reactions of 6He in a carbon target reveals the presence of an s-wave component at low energies in the α + n relative energy spectrum. A possible low-lying exited state in 7He observed in neutron knockout data from 8He in a carbon target and tentatively interpreted as a Iπ = 1 /2- state, could not be observed in the present experiment. Possible explanations of the shape difference between the 7He resonance obtained in the two knockout reactions are discussed in terms of target-dependence or different reaction mechanisms at relativistic energies.

  16. Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional.

    PubMed

    Ziegler, Tom; Krykunov, Mykhaylo; Autschbach, Jochen

    2014-09-01

    The random phase approximation (RPA) equation of adiabatic time dependent density functional ground state response theory (ATDDFT) has been used extensively in studies of excited states. It extracts information about excited states from frequency dependent ground state response properties and avoids, thus, in an elegant way, direct Kohn-Sham calculations on excited states in accordance with the status of DFT as a ground state theory. Thus, excitation energies can be found as resonance poles of frequency dependent ground state polarizability from the eigenvalues of the RPA equation. ATDDFT is approximate in that it makes use of a frequency independent energy kernel derived from the ground state functional. It is shown in this study that one can derive the RPA equation of ATDDFT from a purely variational approach in which stationary states above the ground state are located using our constricted variational DFT (CV-DFT) method and the ground state functional. Thus, locating stationary states above the ground state due to one-electron excitations with a ground state functional is completely equivalent to solving the RPA equation of TDDFT employing the same functional. The present study is an extension of a previous work in which we demonstrated the equivalence between ATDDFT and CV-DFT within the Tamm-Dancoff approximation. PMID:26588541

  17. From ground state to fission fragments: A complex, multi-dimensional multi-path problem

    SciTech Connect

    Moeller, P.; Nix, J.R.; Swiatecki, W.J.

    1992-03-01

    Experimental results on the fission properties of nuclei close to {sup 264}Fm show sudden and large changes with a change of only one or two neutrons or protons. The nucleus {sup 258}Fm, for instance, undergoes symmetric fission with a half-life of about 0.4 ms and a kinetic-energy distribution peaked at about 235 MeV whereas {sup 256}Fm undergoes asymmetric fission with a half-life of about 3 h and a kinetic-energy distribution peaked at about 200 MeV. Qualitatively, these sudden changes have been postulated to be due to the emergence of fragment shells in symmetric-fission products close to {sup 132}Sn. Here we present a quantitative calculation that shows where high-kinetic-energy symmetric fusion occurs and why it is associated with a sudden and large decrease in fission half-lives. We base our study on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. We use the three-quadratic-surface parameterization to generate the shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. Since these shapes are thought to correspond to the scission shapes for the high-kinetic-energy events it is of crucial importance that a continuous sequence of shapes leading from the nuclear ground state to these configurations can be studied within the framework of the model. We present the results of the calculations in terms of potential-energy surfaces and fission half-lives for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. They clearly show the appearance of a second fission valley, which leads to scission configurations close to tow touching spheres, for fissioning systems in the vicinity of {sup 264}Fm.

  18. Soft materials with recoverable shape factors from extreme distortion states

    DOE PAGESBeta

    Goff, Jonathan; Sulaiman, Santy; Arkles, Barry; Lewicki, James P.

    2016-01-20

    We present elastomeric polysiloxane nanocomposites with elongations of >5000% (more than 3× greater than any previously reported material) with excellent shape recovery. Highly deformable materials are desirable for the fabrication of stretchable implants and microfluidic devices. No crosslinking or domain formation is observed by a variety of analytical techniques, suggesting that their elastomeric behavior is caused by polymer chain entanglements.

  19. Acoustic seafloor discrimination with echo shape parameters: A comparison with the ground truth

    NASA Astrophysics Data System (ADS)

    van Walree, Paul A.; Tęgowski, Jaroslaw; Laban, Cees; Simons, Dick G.

    2005-11-01

    Features extracted from echosounder bottom returns are compared with the ground truth in a North Sea survey area. The ground truth consists of 50 grab samples for which the grain size distribution, and the gravel and shell contents were determined. Echo envelopes are analysed for two single-beam echosounders, operated at frequencies of 66 and 150 kHz. It is shown that a set of six energetic, statistical, spectral and fractal parameters carries useful information that can be exploited for seafloor characterization and classification purposes. A quantitative comparison of the individual features with the grab sample mean grain size reveals significant correlations. The echo features are also subjected to a principal component analysis in tandem with a cluster analysis. Four sediment classes with different geo-acoustic properties are examined and compared with the grab samples and existing geological information. A subtle difference between the two sounder frequencies is observed in the rendition of an isolated trench with a soft infill of clay and Holocene channel deposits. The acoustic transition from the valley to neighbouring sand and gravel fields occurs more rapidly at the lower of the two examined frequencies. A direct comparison of the acoustic sediment classes with the ground truth reveals that the main sediment types mud, sand, and gravel are more clearly separated at 150 kHz. The acoustic bottom classification scheme also appears particularly sensitive to the presence of gravel at this sounder frequency.

  20. Rapid divergence and gene flow at high latitudes shape the history of Holarctic ground squirrels (Urocitellus).

    PubMed

    McLean, Bryan S; Jackson, Donavan J; Cook, Joseph A

    2016-09-01

    Across the animal tree of life, the prevalence and evolutionary role(s) of hybridization remain incompletely understood. Rapidly radiating clades can serve as important systems for investigating these issues; however, such groups are often characterized by additional, widespread sources of gene tree discordance (e.g., incomplete lineage sorting). In this paper, we employed a multilocus dataset, Bayesian gene tree inference, and multiple species tree reconstruction methods to infer phylogeny of Holarctic ground squirrels (Urocitellus). We tested phylogenetic hypotheses based on previous morphological, cytological and single-locus datasets, and began to parse the causes of pervasive gene tree discordance that was observed. There is widespread incomplete lineage sorting in Urocitellus, consistent with rapid diversification embedded within the larger radiation of marmotine ground squirrels. We also recovered strong support for 2 instances of mitonuclear discord due to ancient hybridization among members of the high-latitude parryii-richardsonii-elegans clade. These results add to a growing number of documented hybridization events in ground squirrels, suggesting their radiation is a fertile system for understanding the interplay of diversification and hybridization in animal evolution. PMID:27261251

  1. Zethrenes, extended p-quinodimethanes, and periacenes with a singlet biradical ground state.

    PubMed

    Sun, Zhe; Zeng, Zebing; Wu, Jishan

    2014-08-19

    Researchers have studied polycyclic aromatic hydrocarbons (PAHs) for more than 100 years, and most PAHs in the neutral state reported so far have a closed-shell electronic configuration in the ground state. However, recent studies have revealed that specific types of polycyclic hydrocarbons (PHs) could have a singlet biradical ground state and exhibit unique electronic, optical, and magnetic activities. With the appropriate stabilization, these new compounds could prove useful as molecular materials for organic electronics, nonlinear optics, organic spintronics, organic photovoltaics, and energy storage devices. However, before researchers can use these materials to design new devices, they need better methods to synthesize these molecules and a better understanding of the fundamental relationship between the structure and biradical character of these compounds and their physical properties. Their biradical character makes these compounds difficult to synthesize. These compounds are also challenging to physically characterize and require the use of various experimental techniques and theoretic methods to comprehensively describe their unique properties. In this Account, we will discuss the chemistry and physics of three types of PHs with a significant singlet biradical character, primarily developed in our group. These structures are zethrenes, Z-shaped quinoidal hydrocarbons; hydrocarbons that include a proaromatic extended p-quinodimethane unit; and periacenes, acenes fused in a peri-arrangement. We used a variety of synthetic methods to prepare these compounds and stabilized them using both thermodynamic and kinetic approaches. We probed their ground-state structures by electronic absorption, NMR, ESR, SQUID, Raman spectroscopy, and X-ray crystallography and also performed density functional theory calculations. We investigated the physical properties of these PHs using various experimental methods such as one-photon absorption, two-photon absorption, transient

  2. Ground beef consumption patterns in the United States, FoodNet, 2006 through 2007.

    PubMed

    Taylor, Ethel V; Holt, Kristin G; Mahon, Barbara E; Ayers, Tracy; Norton, Dawn; Gould, L Hannah

    2012-02-01

    Infection resulting from foodborne pathogens, including Escherichia coli O157:H7, is often associated with consumption of raw or undercooked ground beef. However, little is known about the frequency of ground beef consumption in the general population. The objective of this study was to describe patterns of self-reported ground beef and pink ground beef consumption using data from the 2006 through 2007 FoodNet Population Survey. From 1 July 2006 until 30 June 2007, residents of 10 FoodNet sites were contacted by telephone and asked about foods consumed within the previous week. The survey included questions regarding consumption of ground beef patties both inside and outside the home, the consumption of pink ground beef patties and other types of ground beef inside the home, and consumption of ground beef outside the home. Of 8,543 survey respondents, 75.3% reported consuming some type of ground beef in the home. Of respondents who ate ground beef patties in the home, 18.0% reported consuming pink ground beef. Consumption of ground beef was reported most frequently among men, persons with incomes from $40,000 to $75,000 per year, and persons with a high school or college education. Ground beef consumption was least often reported in adults ≥65 years of age. Men and persons with a graduate level education most commonly reported eating pink ground beef in the home. Reported consumption of ground beef and pink ground beef did not differ by season. Ground beef is a frequently consumed food item in the United States, and rates of consumption of pink ground beef have changed little since previous studies. The high rate of consumption of beef that has not been cooked sufficiently to kill pathogens makes pasteurization of ground beef an important consideration, especially for those individuals at high risk of complications from foodborne illnesses such as hemolytic uremic syndrome. PMID:22289595

  3. Electronic ground state properties of Coulomb blockaded quantum dots

    NASA Astrophysics Data System (ADS)

    Patel, Satyadev Rajesh

    Conductance through quantum dots at low temperature exhibits random but repeatable fluctuations arising from quantum interference of electrons. The observed fluctuations follow universal statistics arising from the underlying universality of quantum chaos. Random matrix theory (RMT) has provided an accurate description of the observed universal conductance fluctuations (UCF) in "open" quantum dots (device conductance ≥e 2/h). The focus of this thesis is to search for and decipher the underlying origin of similar universal properties in "closed" quantum dots (device conductance ≤e2/ h). A series of experiments is presented on electronic ground state properties measured via conductance measurements in Coulomb blockaded quantum dots. The statistics of Coulomb blockade (CB) peak heights with zero and non-zero magnetic field measured in various devices agree qualitatively with predictions from Random Matrix Theory (RMT). The standard deviation of the peak height fluctuations for non-zero magnetic field is lower than predicted by RMT; the temperature dependence of the standard deviation of the peak height for non-zero magnetic field is also measured. The second experiment summarizes the statistics of CB peak spacings. The peak spacing distribution width is observed to be on the order of the single particle level spacing, Delta, for both zero and non-zero magnetic field. The ratio of the zero field peak spacing distribution width to the non-zero field peak spacing distribution width is ˜1.2; this is good agreement with predictions from spin-resolved RMT predictions. The standard deviation of the non-zero magnetic field peak spacing distribution width shows a T-1/2 dependence in agreement with a thermal averaging model. The final experiment summarizes the measurement of the peak height correlation length versus temperature for various quantum dots. The peak height correlation length versus temperature saturates in small quantum dots, suggesting spectral scrambling

  4. Semistable extremal ground states for nonlinear evolution equations in unbounded domains

    NASA Astrophysics Data System (ADS)

    Rodríguez-Bernal, Aníbal; Vidal-López, Alejandro

    2008-02-01

    In this paper we show that dissipative reaction-diffusion equations in unbounded domains posses extremal semistable ground states equilibria, which bound asymptotically the global dynamics. Uniqueness of such positive ground state and their approximation by extremal equilibria in bounded domains is also studied. The results are then applied to the important case of logistic equations.

  5. Suppression of resonance Raman scattering via ground state depletion towards sub-diffraction-limited label-free microscopy.

    PubMed

    Rieger, Steffen; Fischedick, Markus; Boller, Klaus-Jochen; Fallnich, Carsten

    2016-09-01

    We report on the first experimental demonstration of the suppression of spontaneous Raman scattering via ground state depletion. The concept of Raman suppression can be used to achieve sub-diffraction-limited resolution in label-free microscopy by exploiting spatially selective signal suppression when imaging a sample with a combination of Gaussian- and donut-shaped beams and reconstructing a resolution-enhanced image from this data. Using a nanosecond pulsed laser source with an emission wavelength of 355 nm, the ground state of tris(bipyridine)ruthenium(II) molecules solved in acetonitrile was depleted and the spontaneous Raman scattering at 355 nm suppressed by nearly 50 %. Based on spectroscopic data retrieved from our experiment, we modeled the Raman image of a scattering center in order to demonstrate the applicability of this effect for superresolution Raman microscopy. PMID:27607677

  6. Shape of solitons in classically forbidden states - 'Lorentz expansion'

    NASA Technical Reports Server (NTRS)

    Guinea, F.; Peierls, R. E.; Schrieffer, R.

    1986-01-01

    The shape of extended objects in classically forbidden regions is shown to undergo expansion analogous to Lorentz contraction of a relativistic body of finite velocities. The problem of two interacting Dirac particles moving in one dimension is solved explicitly and the results are generalized to soliton solutions of field theories. An estimate of the effect on tunneling rates is also given, including solitons in (CH)z.

  7. Ground-State Cooling of a Trapped Ion Using Long-Wavelength Radiation

    NASA Astrophysics Data System (ADS)

    Weidt, S.; Randall, J.; Webster, S. C.; Standing, E. D.; Rodriguez, A.; Webb, A. E.; Lekitsch, B.; Hensinger, W. K.

    2015-07-01

    We demonstrate ground-state cooling of a trapped ion using radio-frequency (rf) radiation. This is a powerful tool for the implementation of quantum operations, where rf or microwave radiation instead of lasers is used for motional quantum state engineering. We measure a mean phonon number of n ¯=0.13 (4 ) after sideband cooling, corresponding to a ground-state occupation probability of 88(7)%. After preparing in the vibrational ground state, we demonstrate motional state engineering by driving Rabi oscillations between the |n =0 ⟩ and |n =1 ⟩ Fock states. We also use the ability to ground-state cool to accurately measure the motional heating rate and report a reduction by almost 2 orders of magnitude compared with our previously measured result, which we attribute to carefully eliminating sources of electrical noise in the system.

  8. Ground-State Cooling of a Trapped Ion Using Long-Wavelength Radiation.

    PubMed

    Weidt, S; Randall, J; Webster, S C; Standing, E D; Rodriguez, A; Webb, A E; Lekitsch, B; Hensinger, W K

    2015-07-01

    We demonstrate ground-state cooling of a trapped ion using radio-frequency (rf) radiation. This is a powerful tool for the implementation of quantum operations, where rf or microwave radiation instead of lasers is used for motional quantum state engineering. We measure a mean phonon number of n[over ¯]=0.13(4) after sideband cooling, corresponding to a ground-state occupation probability of 88(7)%. After preparing in the vibrational ground state, we demonstrate motional state engineering by driving Rabi oscillations between the |n=0⟩ and |n=1⟩ Fock states. We also use the ability to ground-state cool to accurately measure the motional heating rate and report a reduction by almost 2 orders of magnitude compared with our previously measured result, which we attribute to carefully eliminating sources of electrical noise in the system. PMID:26182094

  9. Coupling of four-wave mixing and Raman scattering by ground-state atomic coherence

    NASA Astrophysics Data System (ADS)

    Parniak, Michał; Leszczyński, Adam; Wasilewski, Wojciech

    2016-05-01

    We demonstrate coupling of light resonant to transition between two excited states of rubidium and long-lived ground-state atomic coherence. In our proof-of-principle experiment a nonlinear process of four-wave mixing is used to achieve light emission proportional to independently prepared ground-state atomic coherence. Strong correlations between stimulated Raman-scattering light heralding the generation of ground-state coherence and the four-wave mixing signal are measured and shown to survive the storage period, which is promising in terms of quantum memory applications. The process is characterized as a function of laser detunings.

  10. Deformed Shape Calculation of a Full-Scale Wing Using Fiber Optic Strain Data from a Ground Loads Test

    NASA Technical Reports Server (NTRS)

    Jutte, Christine V.; Ko, William L.; Stephens, Craig A.; Bakalyar, John A.; Richards, W. Lance

    2011-01-01

    A ground loads test of a full-scale wing (175-ft span) was conducted using a fiber optic strain-sensing system to obtain distributed surface strain data. These data were input into previously developed deformed shape equations to calculate the wing s bending and twist deformation. A photogrammetry system measured actual shape deformation. The wing deflections reached 100 percent of the positive design limit load (equivalent to 3 g) and 97 percent of the negative design limit load (equivalent to -1 g). The calculated wing bending results were in excellent agreement with the actual bending; tip deflections were within +/- 2.7 in. (out of 155-in. max deflection) for 91 percent of the load steps. Experimental testing revealed valuable opportunities for improving the deformed shape equations robustness to real world (not perfect) strain data, which previous analytical testing did not detect. These improvements, which include filtering methods developed in this work, minimize errors due to numerical anomalies discovered in the remaining 9 percent of the load steps. As a result, all load steps attained +/- 2.7 in. accuracy. Wing twist results were very sensitive to errors in bending and require further development. A sensitivity analysis and recommendations for fiber implementation practices, along with, effective filtering methods are included

  11. Ground-state modulation-enhancement by two-state lasing in quantum-dot laser devices

    SciTech Connect

    Röhm, André; Lingnau, Benjamin; Lüdge, Kathy

    2015-05-11

    We predict a significant increase of the 3 dB-cutoff-frequency on the ground-state lasing wavelength for two-state-lasing quantum-dot lasers using a microscopically motivated multi-level rate-equation model. After the onset of the second lasing line, the excited state acts as a high-pass filter, improving the ground-state response to faster modulation frequencies. We present both numerically simulated small-signal and large-signal modulation results and compare the performance of single and two-state lasing devices. Furthermore, we give dynamical arguments for the advantages of two-state lasing on data-transmission capabilities.

  12. Electronic transport, density of states and ground state properties of Li In binary alloy

    NASA Astrophysics Data System (ADS)

    Kumar, Ashwani; Rafique, S. M.; Sinha, T. P.

    2008-10-01

    The electronic transport properties of Li-In binary alloy have been studied by Harrison's first principle pseudopotential technique. The Percus-Yevik hard sphere model is used to compute the partial structure factors S ij( k) for the alloy at the desired composition. We have also calculated the ground state properties of Li-In alloy employing full-potential linearized augmented plane wave (FLAPW) method. The equilibrium values of bulk modulus and its pressure derivative have been estimated through optimization of the crystal structure of the Li-In alloy. The calculated total density of states (DOS) and the partial DOS around the Fermi energy are used to explain the variation of resistivity of the alloy with carrier concentration.

  13. Ground-state structures and the random-state energy of the Madelung lattice

    SciTech Connect

    Magri, R.; Wei, S.; Zunger, A. )

    1990-12-15

    We consider the classic Madelung problem of a lattice with {ital N} sites labeled {ital i}, each occupied by either an {ital A} or a {ital B} atom, and bearing a point charge {ital Q}{sub {ital i}} that depends on the environment of {ital i}. We find that, out of the 2{sup {ital N}} possible lattice configurations of this binary {ital A}{sub 1{minus}{ital x}}{ital B}{sub {ital x}} fcc alloy, the lowest-energy ground-state structures'' are the {ital A}{sub 3}{ital B}-, {ital A}{sub 2}{ital B}{sub 2}- and {ital AB}{sub 3}-ordered superlattices with ordering vector (1,0,1/2). On the other hand, for the pseudobinary {ital A}{sub 1{minus}{ital x}}{ital B}{sub {ital x}}{sub C} zinc-blende alloy, the ground state corresponds to phase separation into {ital AC}+{ital BC}. Contrary to the accepted view, the Madelung energy of the random binary alloy is found to be nonvanishing.

  14. The Ground State of Monolayer Graphene in a Strong Magnetic Field

    NASA Astrophysics Data System (ADS)

    Wu, Lian-Ao; Guidry, Mike

    2016-03-01

    Experiments indicate that the ground state of graphene in a strong magnetic field exhibits spontaneous breaking of SU(4) symmetry. However, the nature of the corresponding emergent state is unclear because existing theoretical methods approximate the broken-symmetry solutions, yielding nearly-degenerate candidate ground states having different emergent orders. Resolving this ambiguity in the nature of the strong-field ground state is highly desirable, given the importance of graphene for both fundamental physics and technical applications. We have discovered a new SO(8) symmetry that recovers standard graphene SU(4) quantum Hall physics, but predicts two new broken-SU(4) phases and new properties for potential ground states. Our solutions are analytical; thus we capture the essential physics of spontaneously-broken SU(4) states in a powerful yet solvable model useful both in correlating existing data and in suggesting new experiments.

  15. Development of three-dimensional state-space wake theory and application in dynamic ground effect

    NASA Astrophysics Data System (ADS)

    Yu, Ke

    In topics of rotorcraft wake analysis, state-space wake theory has a recognized reputation for advantages in real-time simulation, preliminary design and eigenvalue analysis. Developments in the past decades greatly improved range of validity and accuracy of the state-space modeling approach. This work focuses on further improvement of the state-space wake theory and applications in representing dynamic ground effect. Extended state-space model is developed to represent non-zero mass flux on rotor disk. Its instant practical application, representing ground effect with a mass source ground rotor, is evaluated in both steady and dynamic aspects. Investigations of partial ground effect simulation by state-space model are carried out in different rotor configurations. Additional work is done in improving simulation efficiency of practical application of state-space modeling.

  16. The Ground State of Monolayer Graphene in a Strong Magnetic Field

    PubMed Central

    Wu, Lian-Ao; Guidry, Mike

    2016-01-01

    Experiments indicate that the ground state of graphene in a strong magnetic field exhibits spontaneous breaking of SU(4) symmetry. However, the nature of the corresponding emergent state is unclear because existing theoretical methods approximate the broken-symmetry solutions, yielding nearly-degenerate candidate ground states having different emergent orders. Resolving this ambiguity in the nature of the strong-field ground state is highly desirable, given the importance of graphene for both fundamental physics and technical applications. We have discovered a new SO(8) symmetry that recovers standard graphene SU(4) quantum Hall physics, but predicts two new broken-SU(4) phases and new properties for potential ground states. Our solutions are analytical; thus we capture the essential physics of spontaneously-broken SU(4) states in a powerful yet solvable model useful both in correlating existing data and in suggesting new experiments. PMID:26927477

  17. Ground Band and Excited Band of Spin-1 BEC in Cigar Shaped Laser Trap

    NASA Astrophysics Data System (ADS)

    Pang, Wei; Li, Zhi-Bing; Bao, Cheng-Guang

    2007-10-01

    The wavefunctions that conserve the total spin are constructed for the fully condensed states and the states with one particle excited. A set of equations are deduced for the spatial longitudinal wavefunctions and the chemical potentials. These equations are solved numerically for 23Na and 87Rb condensates. The deformed trap shows significant effects on the spectrum. This implies that the spin effect of the spinor BEC are more easily detected in an optical trap of larger aspect ratio.

  18. Ground state of bilayer hα-silica: mechanical and electronic properties.

    PubMed

    Han, Yang; Hu, Ming

    2015-12-18

    The family of two-dimensional (2D) crystals was recently joined by silica, one of the most abundant resources on earth. So far two different polymorphs of this material, namely a tetrahedra-shaped monolayer and a fully saturated bilayer structure, have been synthesized on various metal substrates and their fascinating properties enable 2D silica to hold promise in nanoelectronic device applications. In this paper a new ground state of bilayer-AAr-stacking hα-silica-has been discovered by first principles calculations. The new structure is featured with a formation of Si-Si bonds between all sp(3) hybridized SiO3 triangular pyramids, lying respectively in different silica layers, with an intrinsic rotational angle of about 12.5° along the out-of-plane Si-Si bond. Due to the doubled number of Si-Si bonds in the new structure, the system energy is lowered by nearly three times more than that reported recently in literature (0.8 eV) (Özçelik et al 2014 Phys. Rev. Lett. 112 246803), when compared with the single layer hα-silica. A mechanical property investigation shows that the AAr-stacking bilayer hα-silica possesses high in-plane stiffness and a negative Poisson's ratio, which stems from the intrinsic rotational angle of the SiO3 triangular pyramids. Strikingly, the negative Poisson's ratio evolves into positive at a critical tensile strain ϵ ≈ 1.2%. Such negative-to-positive evolvement is associated with the adaptation of the rotational angle to the applied strain and the structure transition into the nearby valley of the energy landscape. The detailed transition process has been thoroughly analyzed. The electronic properties of the new ground state are also calculated, along with their response to the external strain. Our new ground state structure introduces a new member to the family of 2D bilayer silica materials and is expected to facilitate experimental studies identifying the related structures and exploring further physical and chemical properties

  19. Ground state of bilayer hα-silica: mechanical and electronic properties

    NASA Astrophysics Data System (ADS)

    Han, Yang; Hu, Ming

    2015-12-01

    The family of two-dimensional (2D) crystals was recently joined by silica, one of the most abundant resources on earth. So far two different polymorphs of this material, namely a tetrahedra-shaped monolayer and a fully saturated bilayer structure, have been synthesized on various metal substrates and their fascinating properties enable 2D silica to hold promise in nanoelectronic device applications. In this paper a new ground state of bilayer—AAr-stacking hα-silica—has been discovered by first principles calculations. The new structure is featured with a formation of Si-Si bonds between all sp3 hybridized SiO3 triangular pyramids, lying respectively in different silica layers, with an intrinsic rotational angle of about 12.5° along the out-of-plane Si-Si bond. Due to the doubled number of Si-Si bonds in the new structure, the system energy is lowered by nearly three times more than that reported recently in literature (0.8 eV) (Özçelik et al 2014 Phys. Rev. Lett. 112 246803), when compared with the single layer hα-silica. A mechanical property investigation shows that the AAr-stacking bilayer hα-silica possesses high in-plane stiffness and a negative Poisson’s ratio, which stems from the intrinsic rotational angle of the SiO3 triangular pyramids. Strikingly, the negative Poisson’s ratio evolves into positive at a critical tensile strain ɛ ≈ 1.2%. Such negative-to-positive evolvement is associated with the adaptation of the rotational angle to the applied strain and the structure transition into the nearby valley of the energy landscape. The detailed transition process has been thoroughly analyzed. The electronic properties of the new ground state are also calculated, along with their response to the external strain. Our new ground state structure introduces a new member to the family of 2D bilayer silica materials and is expected to facilitate experimental studies identifying the related structures and exploring further physical and chemical

  20. Ground States in Thin Ferromagnetic Nanorings with Four-Fold In-Plane Anisotropy

    NASA Astrophysics Data System (ADS)

    Chaves-O'Flynn, Gabriel; Muratov, Cyrill

    2014-03-01

    We present results of micromagnetic simulations based on the optimal grid algorithm for the study of metastable states in thin nano-rings with four-fold anisotropy. Previous work have demonstrated a rich energy landscape for these structures resulting from competition between shape and crystalline anisotropies. We present a quasi-1D framework for the analysis of nanorings. First, we calculate the energy of domain walls of different windings for magnetic strips oriented at different angles with respect to the easy anisotropy axes. We consider the dependence of wall energy on material parameters. With these numbers we build a reduced-model for the micromagnetic energy on the rings which allows to treat the micromagnetic energy minimization as a combinatorial problem: the walls in the ring are treated as separate entities each with an intrinsic energy calculated from the strip case and interacting with each other via dipole-dipole interactions. A comparison with the phase diagram for ground states provides information on the limits of validity of this simplified model.

  1. Ground state of the holes localized in II-VI quantum dots with Gaussian potential profiles

    NASA Astrophysics Data System (ADS)

    Semina, M. A.; Golovatenko, A. A.; Rodina, A. V.

    2016-01-01

    We report on a theoretical study of the hole states in II-IV quantum dots of spherical and ellipsoidal shapes, described by smooth potential confinement profiles that can be modeled by Gaussian functions in all three dimensions. The universal dependencies of the hole energy, g factor, and localization length on the quantum dot barrier height, as well as the ratio of effective masses of the light and heavy holes are presented for the spherical quantum dots. The splitting of the fourfold degenerate ground state into two doublets is derived for anisotropic (oblate or prolate) quantum dots. Variational calculations are combined with numerical ones in the framework of the Luttinger Hamiltonian. Constructed trial functions are optimized by comparison with the numerical results. The effective hole g factor is found to be independent of the quantum dot size and barrier height and is approximated by a simple universal expression depending only on the effective mass parameters. The results can be used for interpreting and analyzing experimental spectra measured in various structures with quantum dots of different semiconductor materials.

  2. Comparison of ground- and excited-state raman transitions using resonant coherent stokes generation

    NASA Astrophysics Data System (ADS)

    Andrews, J. R.; Hochstrasser, R. M.

    1981-11-01

    Coherent Stokes generation was explored as a means to investigate vibrational dephasing in both the ground state and first excited singlet state of pentacene in benzoic acid. The dephasing-induced coherent emission (DICE) was used to obtain the ground- and excited-state Ramon linewidths between 1.6 K and 200 K. The broadening for both modes displayed an Arrhenius energy of ≈100 cm -1.

  3. Ground state and excitations of the supersymmetric extended Hubbard model with long-range interaction

    SciTech Connect

    Wang, D.F.; Liu, J.T.

    1996-07-01

    We examine the ground state and excitations of the one-dimensional supersymmetric extended Hubbard model with long-range interaction. The ground state wave-function and low lying excitations are given explicitly in the form of a Jastrow product of two-body terms. This result motivates an asymptotic Bethe ansatz solution for the model. We present evidence that this solution is in fact exact and spans the complete spectrum of states. {copyright} {ital 1996 The American Physical Society.}

  4. Exact ground states of large two-dimensional planar Ising spin glasses

    NASA Astrophysics Data System (ADS)

    Pardella, G.; Liers, F.

    2008-11-01

    Studying spin-glass physics through analyzing their ground-state properties has a long history. Although there exist polynomial-time algorithms for the two-dimensional planar case, where the problem of finding ground states is transformed to a minimum-weight perfect matching problem, the reachable system sizes have been limited both by the needed CPU time and by memory requirements. In this work, we present an algorithm for the calculation of exact ground states for two-dimensional Ising spin glasses with free boundary conditions in at least one direction. The algorithmic foundations of the method date back to the work of Kasteleyn from the 1960s for computing the complete partition function of the Ising model. Using Kasteleyn cities, we calculate exact ground states for huge two-dimensional planar Ising spin-glass lattices (up to 30002 spins) within reasonable time. According to our knowledge, these are the largest sizes currently available. Kasteleyn cities were recently also used by Thomas and Middleton in the context of extended ground states on the torus. Moreover, they show that the method can also be used for computing ground states of planar graphs. Furthermore, we point out that the correctness of heuristically computed ground states can easily be verified. Finally, we evaluate the solution quality of heuristic variants of the L. Bieche approach.

  5. Matrix elements for the ground-state to ground-state 2{nu}{beta}{sup -}{beta}{sup -} decay of Te isotopes in a hybrid model

    SciTech Connect

    Bes, D. R.; Civitarese, O.

    2010-01-15

    Theoretical matrix elements, for the ground-state to ground-state two-neutrino double-{beta}-decay mode (2{nu}{beta}{sup -}{beta}{sup -}gs->gs) of {sup 128,130}Te isotopes, are calculated within a formalism that describes interactions between neutrons in a superfluid phase and protons in a normal phase. The elementary degrees of freedom of the model are proton-pair modes and pairs of protons and quasineutrons. The calculation is basically a parameter-free one, because all relevant parameters are fixed from the phenomenology. A comparison with the available experimental data is presented.

  6. A MRSDCI characterization of the ground state of CaC

    NASA Astrophysics Data System (ADS)

    Takada, Hellinton H.; Pelegrini, Marina; Roberto-Neto, Orlando; Machado, Francisco B. C.

    2002-09-01

    Accurate potential energy curves, dipole moment functions, dissociation energies and spectroscopic constants for six electronic states ( 3Σ-, 3Π, 5Σ-, 1Δ, 1Π, 1Σ+) of the CaC molecule are reported with the multireference singles and doubles configuration interaction methodology. The ground state has symmetry 3Σ -, with a dissociation energy ( D0) equal to 1.94 eV. The 5Σ - state is the first excited state lying 695 cm-1 above the 3Σ - ground state. The 1Δ and 3Π states are the second and third excited states separated, respectively, by 10 763 and 12 167 cm-1 from the 3Σ - ground state.

  7. A molecular-field approximation for quantum crystals. Ph.D. Thesis; [considering ground state properties

    NASA Technical Reports Server (NTRS)

    Danilowicz, R.

    1973-01-01

    Ground-state properties of quantum crystals have received considerable attention from both theorists and experimentalists. The theoretical results have varied widely with the Monte Carlo calculations being the most successful. The molecular field approximation yields ground-state properties which agree closely with the Monte Carlo results. This approach evaluates the dynamical behavior of each pair of molecules in the molecular field of the other N-2 molecules. In addition to predicting ground-state properties that agree well with experiment, this approach yields data on the relative importance of interactions of different nearest neighbor pairs.

  8. Bulk-edge correspondence of entanglement spectrum in two-dimensional spin ground states

    NASA Astrophysics Data System (ADS)

    Santos, Raul A.

    2013-01-01

    General local spin S ground states, described by a valence bond solid (VBS) on a two-dimensional lattice are studied. The norm of these ground states is mapped to a classical O(3) model on the same lattice. Using this quantum-to-classical mapping, we obtain the partial density matrix ρA associated with a subsystem A of the original ground state. We show that the entanglement spectrum of ρA in a translation invariant lattice is related with the spectrum of a quantum XXX Heisenberg model and all its conserved charges on the boundary of the region A.

  9. Ground-state energies of the nonlinear sigma model and the Heisenberg spin chains

    NASA Technical Reports Server (NTRS)

    Zhang, Shoucheng; Schulz, H. J.; Ziman, Timothy

    1989-01-01

    A theorem on the O(3) nonlinear sigma model with the topological theta term is proved, which states that the ground-state energy at theta = pi is always higher than the ground-state energy at theta = 0, for the same value of the coupling constant g. Provided that the nonlinear sigma model gives the correct description for the Heisenberg spin chains in the large-s limit, this theorem makes a definite prediction relating the ground-state energies of the half-integer and the integer spin chains. The ground-state energies obtained from the exact Bethe ansatz solution for the spin-1/2 chain and the numerical diagonalization on the spin-1, spin-3/2, and spin-2 chains support this prediction.

  10. Molecular spectroscopy for producing ultracold ground-state NaRb molecules

    NASA Astrophysics Data System (ADS)

    Wang, Dajun; Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier

    2016-05-01

    Recently, we have successfully created an ultracold sample of absolute ground-state NaRb molecules by two-photon Raman transfer of weakly bound Feshbach molecules. Here we will present the detailed spectroscopic investigations on both the excited and the rovibrational ground states for finding the two-photon path. For the excited state, we focus on the A1Σ+ /b3 Π singlet and triplet admixture. We discovered an anomalously strong coupling between the Ω =0+ and 0- components which renders efficient population transfer possible. In the ground state, the pure nuclear hyperfine levels have been clearly resolved, which allows us to create molecules in the absolute ground state directly with Raman transfer. This work is jointly supported by Agence Nationale de la Recherche (#ANR-13- IS04-0004-01) and Hong Kong Research Grant Council (#A-CUHK403/13) through the COPOMOL project.

  11. Shaping Landscape Identity in Jewish State Education during the 1950s to 1960s

    ERIC Educational Resources Information Center

    Tadmor-Shimony, Tali

    2013-01-01

    This paper discusses the attempts of Israeli education, in a similar fashion to other national educational systems, to shape a territorial identity for the pupils of the new State. The Israeli school used a variety of educational means to shape a person who would be modelled on his new birthplace's landscape, including the use of textbooks,…

  12. On-ground characterization of the Euclid low noise CCD273 sensor for precise galaxy shape measurements

    NASA Astrophysics Data System (ADS)

    Szafraniec, M.; Niemi, S.-M.; Walton, D.; Cropper, M.

    2015-01-01

    The VISible imaging instrument VIS is one of two instruments on board the Euclid telescope. The focal plane consists of 36 CCD273-84 sensors manufactured by the e2v technologies. The sensors are designed to provide a maximum charge transfer efficiency (CTE) to minimize distortions to source shapes. Each sensor undergoes a rigorous on-ground electro-optical testing at several stages of the mission to ensure that strict requirements are met before the launch of the spacecraft. This paper summarizes the commissioning of the Euclid CCD273 testing facility at the Mullard Space Science Laboratory (MSSL), the lead institute for VIS . The testing bench supports the measurements of the point spread function (PSF), system noise and the flat field evaluation. Accurate spot measurements are extremely important for the precise modelling and general understanding of an instrument's PSF . We show the preliminary results of the optical characterization of the pre-development devices with a special interest in the measurements of the PSF at different illumination levels and in the VIS spectral range of 550-900 nm. Additionally, the influence of the on-ground testing environment and a dedicated readout electronics on the obtained images is taken into consideration.

  13. Switching between ground and excited states by optical feedback in a quantum dot laser diode

    SciTech Connect

    Virte, Martin; Breuer, Stefan; Sciamanna, Marc; Panajotov, Krassimir

    2014-09-22

    We demonstrate switching between ground state and excited state emission in a quantum-dot laser subject to optical feedback. Even though the solitary laser emits only from the excited state, we can trigger the emission of the ground state by optical feedback. We observe recurrent but incomplete switching between the two emission states by variation of the external cavity length in the sub-micrometer scale. We obtain a good qualitative agreement of experimental results with simulation results obtained by a rate equation that accounts for the variations of the feedback phase.

  14. Ground states of stealthy hyperuniform potentials. II. Stacked-slider phases

    NASA Astrophysics Data System (ADS)

    Zhang, G.; Stillinger, F. H.; Torquato, S.

    2015-08-01

    Stealthy potentials, a family of long-range isotropic pair potentials, produce infinitely degenerate disordered ground states at high densities and crystalline ground states at low densities in d -dimensional Euclidean space Rd. In the previous paper in this series, we numerically studied the entropically favored ground states in the canonical ensemble in the zero-temperature limit across the first three Euclidean space dimensions. In this paper, we investigate using both numerical and theoretical techniques metastable stacked-slider phases, which are part of the ground-state manifold of stealthy potentials at densities in which crystal ground states are favored entropically. Our numerical results enable us to devise analytical models of this phase in two, three, and higher dimensions. Utilizing this model, we estimated the size of the feasible region in configuration space of the stacked-slider phase, finding it to be smaller than that of crystal structures in the infinite-system-size limit, which is consistent with our recent previous work. In two dimensions, we also determine exact expressions for the pair correlation function and structure factor of the analytical model of stacked-slider phases and analyze the connectedness of the ground-state manifold of stealthy potentials in this density regime. We demonstrate that stacked-slider phases are distinguishable states of matter; they are nonperiodic, statistically anisotropic structures that possess long-range orientational order but have zero shear modulus. We outline some possible future avenues of research to elucidate our understanding of this unusual phase of matter.

  15. Retrieval of cirrus optical thickness and assessment of ice crystal shape from ground-based imaging spectrometry

    NASA Astrophysics Data System (ADS)

    Schäfer, M.; Bierwirth, E.; Ehrlich, A.; Heyner, F.; Wendisch, M.

    2013-08-01

    A ground-based hyperspectral imaging spectrometer (AisaEAGLE, manufactured by Specim Ltd., Finland) is applied to measure downward spectral radiance fields with high spatial (1024 spatial pixels within 36.7° field of view), spectral (488 spectral pixels, 400-970 nm, 1.25 nm full width at half maximum), and temporal (4-30 Hz) resolution. The calibration, measurement and data evaluation procedures are introduced. A new method is presented to retrieve the cirrus optical thickness (τci) using the spectral radiance data collected by AisaEAGLE. The data were collected during the Cloud Aerosol Radiation and tuRbulence of trade wInd cumuli over BArbados (CARRIBA) project in 2011. The spatial inhomogeneity of the investigated cirrus is characterised by the standard deviation of the retrieved τci as well as the width of its frequency distribution. By comparing measured and simulated downward solar spectral radiance as a function of scattering angle, some evidence of the prevailing cirrus ice crystal shape can be obtained and subsequently used to substantiate the retrieval of τci. The sensitivity of the retrieval method with respect to surface albedo, effective radius (reff), cloud height and ice crystal shape is quantified. An enhanced sensitivity of the retrieved τci is found with respect to the surface albedo (up to 30%) and ice crystal shape (up to 90%). The sensitivity with regard to the effective ice crystal radius (≤ 5%) and the cloud height (≤ 0.5%) is rather small and can be neglected.

  16. Features of simultaneous ground- and excited-state lasing in quantum dot lasers

    SciTech Connect

    Zhukov, A. E. Maximov, M. V.; Shernyakov, Yu. M.; Livshits, D. A.; Savelyev, A. V.; Zubov, F. I.; Klimenko, V. V.

    2012-02-15

    The lasing spectra and light-current (L-I) characteristics of an InAs/InGaAs quantum dot laser emitting in the simultaneous lasing mode at the ground- and excited-state optical transitions are studied. Lasing and spontaneous emission spectra are compared. It is shown that ground-state quenching of lasing is observed even in the absence of active region self-heating or an increase in homogeneous broadening with growth in the current density. It is found that the intensities of both lasing and spontaneous emission at the ground-state transition begin to decrease at a pump intensity that significantly exceeds the two-level lasing threshold. It is also found that different groups of quantum dots are involved in ground- and excited-state lasing.

  17. Trajectory approach to the Schrödinger-Langevin equation with linear dissipation for ground states

    NASA Astrophysics Data System (ADS)

    Chou, Chia-Chun

    2015-11-01

    The Schrödinger-Langevin equation with linear dissipation is integrated by propagating an ensemble of Bohmian trajectories for the ground state of quantum systems. Substituting the wave function expressed in terms of the complex action into the Schrödinger-Langevin equation yields the complex quantum Hamilton-Jacobi equation with linear dissipation. We transform this equation into the arbitrary Lagrangian-Eulerian version with the grid velocity matching the flow velocity of the probability fluid. The resulting equation is simultaneously integrated with the trajectory guidance equation. Then, the computational method is applied to the harmonic oscillator, the double well potential, and the ground vibrational state of methyl iodide. The excellent agreement between the computational and the exact results for the ground state energies and wave functions shows that this study provides a synthetic trajectory approach to the ground state of quantum systems.

  18. Bott Periodicity for Z_2 Symmetric Ground States of Gapped Free-Fermion Systems

    NASA Astrophysics Data System (ADS)

    Kennedy, R.; Zirnbauer, M. R.

    2016-03-01

    Building on the symmetry classification of disordered fermions, we give a proof of the proposal by Kitaev, and others, for a "Bott clock" topological classification of free-fermion ground states of gapped systems with symmetries. Our approach differs from previous ones in that (i) we work in the standard framework of Hermitian quantum mechanics over the complex numbers, (ii) we directly formulate a mathematical model for ground states rather than spectrally flattened Hamiltonians, and (iii) we use homotopy-theoretic tools rather than K-theory. Key to our proof is a natural transformation that squares to the standard Bott map and relates the ground state of a d-dimensional system in symmetry class s to the ground state of a ( d + 1)-dimensional system in symmetry class s + 1. This relation gives a new vantage point on topological insulators and superconductors.

  19. Analytic models for the density of a ground-state spinor condensate

    NASA Astrophysics Data System (ADS)

    Gautam, Sandeep; Adhikari, S. K.

    2015-08-01

    We demonstrate that the ground state of a trapped spin-1 and spin-2 spinor ferromagnetic Bose-Einstein condensate (BEC) can be well approximated by a single decoupled Gross-Pitaevskii (GP) equation. Useful analytic models for the ground-state densities of ferromagnetic BECs are obtained from the Thomas-Fermi approximation (TFA) to this decoupled equation. Similarly, for the ground states of spin-1 antiferromagnetic and spin-2 antiferromagnetic and cyclic BECs, some of the spin-component densities are zero, which reduces the coupled GP equation to a simple reduced form. Analytic models for ground-state densities are also obtained for antiferromagnetic and cyclic BECs from the TFA to the respective reduced GP equations. The analytic densities are illustrated and compared with the full numerical solution of the GP equation with realistic experimental parameters.

  20. Ground-state information geometry and quantum criticality in an inhomogeneous spin model

    NASA Astrophysics Data System (ADS)

    Ma, Yu-Quan

    2015-09-01

    We investigate the ground-state Riemannian metric and the cyclic quantum distance of an inhomogeneous quantum spin-1/2 chain in a transverse field. This model can be diagonalized by using a general canonical transformation to the fermionic Hamiltonian mapped from the spin system. The ground-state Riemannian metric is derived exactly on a parameter manifold ring S1, which is introduced by performing a gauge transformation to the spin Hamiltonian through a twist operator. The cyclic ground-state quantum distance and the second derivative of the ground-state energy are studied in different exchange coupling parameter regions. Particularly, we show that, in the case of exchange coupling parameter Ja = Jb, the quantum ferromagnetic phase can be characterized by an invariant quantum distance and this distance will decay to zero rapidly in the paramagnetic phase. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404023 and 11347131).

  1. Arsenic in Ground Water of the United States

    MedlinePlus

    ... Information Arsenic in groundwater of the United States Arsenic in groundwater is largely the result of minerals dissolving from weathered rocks and soils. Several types of cancer have been linked to ...

  2. Mass coefficient and Grodzins relation for the ground-state band and {gamma} band

    SciTech Connect

    Jolos, R. V.; Brentano, P. von

    2006-12-15

    It is shown that the available experimental data on the energies of the first and the {gamma}-vibrational 2{sup +} states and the reduced E2 transition probabilities from these states to the ground state require for the explanation significantly different values of the mass coefficients for the rotational motion and {gamma}-vibrations.

  3. Lower bounds to energies for cusped-gaussian wavefunctions. [hydrogen atom ground state

    NASA Technical Reports Server (NTRS)

    Eaves, J. O.; Walsh, B. C.; Steiner, E.

    1974-01-01

    Calculations for the ground states of H, He, and Be, conducted by Steiner and Sykes (1972), show that the inclusion of a very small number of cusp functions can lead to a substantial enhancement of the quality of the Gaussian basis used in molecular wavefunction computations. The properties of the cusped-Gaussian basis are investigated by a calculation of lower bounds concerning the ground state energy of the hydrogen atom.

  4. Ground-state cooling of quantum systems via a one-shot measurement

    NASA Astrophysics Data System (ADS)

    Pyshkin, P. V.; Luo, Da-Wei; You, J. Q.; Wu, Lian-Ao

    2016-03-01

    We prove that there exists a family of quantum systems that can be cooled to their ground states by a one-shot projective measurement on the ancillas coupled to these systems. Consequently, this proof gives rise to the conditions for achieving the one-shot measurement ground-state cooling (OSMGSC). We also propose a general procedure for finding unitary propagators and corresponding Hamiltonians to realize such cooling by means of inverse engineering techniques.

  5. Effect of disorder on the ground-state properties of graphene

    NASA Astrophysics Data System (ADS)

    Asgari, R.; Vazifeh, M. M.; Ramezanali, M. R.; Davoudi, E.; Tanatar, B.

    2008-03-01

    We calculate the ground-state energy of Dirac electrons in graphene in the presence of disorder. We take randomly distributed charged impurities at a fixed distance from the graphene sheet and surface fluctuations (ripples) as the main scattering mechanisms. A mode-coupling approach to the scattering rate and random-phase approximation for the ground-state energy incorporating the many-body interactions and the disorder effects yields good agreement with the experimental inverse compressibility.

  6. Two-pulse propagation in media with quantum-mixed ground states

    SciTech Connect

    Clader, B. D.; Eberly, J. H.

    2007-11-15

    We examine fully coherent two-pulse propagation in a {lambda}-type medium, under two-photon resonance conditions and including inhomogeneous broadening. We examine the effects of both short pulse preparation and medium preparation. We contrast the cases in which the two pulses have or have not matched envelopes, and media with and without ground state coherence. We find that an extended interpretation of the area theorem for single-pulse self-induced transparency is able to unify two-pulse propagation scenarios, including some aspects of electromagnetically induced transparency and stimulated Raman scattering. We present numerical solutions of both three-level and adiabatically reduced two-level density matrix equations and Maxwell's equations, and show that many features of the solutions are quickly interpreted with the aid of analytical solutions that we also provide for restricted cases of pulse shapes and preparation of the medium. In the limit of large one-photon detuning, we show that the adiabatic two-level equations commonly used to study stimulated Raman scattering are not reliable for pulse areas in the 2{pi} range, which allows puzzling features of previous numerical work to be understood.

  7. Two-pulse propagation in media with quantum-mixed ground states

    NASA Astrophysics Data System (ADS)

    Clader, B. D.; Eberly, J. H.

    2007-11-01

    We examine fully coherent two-pulse propagation in a Λ -type medium, under two-photon resonance conditions and including inhomogeneous broadening. We examine the effects of both short pulse preparation and medium preparation. We contrast the cases in which the two pulses have or have not matched envelopes, and media with and without ground state coherence. We find that an extended interpretation of the area theorem for single-pulse self-induced transparency is able to unify two-pulse propagation scenarios, including some aspects of electromagnetically induced transparency and stimulated Raman scattering. We present numerical solutions of both three-level and adiabatically reduced two-level density matrix equations and Maxwell’s equations, and show that many features of the solutions are quickly interpreted with the aid of analytical solutions that we also provide for restricted cases of pulse shapes and preparation of the medium. In the limit of large one-photon detuning, we show that the adiabatic two-level equations commonly used to study stimulated Raman scattering are not reliable for pulse areas in the 2π range, which allows puzzling features of previous numerical work to be understood.

  8. Relativistic configuration interaction calculation on the ground and excited states of iridium monoxide

    SciTech Connect

    Suo, Bingbing; Yu, Yan-Mei; Han, Huixian

    2015-03-07

    We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest-lying state is calculated for Ω = 1/2, 3/2, 5/2, and 7/2 in order to clarify the ground state of IrO. Our calculation suggests that the ground state is of Ω = 1/2, which is highly mixed with {sup 4}Σ{sup −} and {sup 2}Π states in Λ − S notation. The two low-lying states 5/2 and 7/2 are nearly degenerate with the ground state and locate only 234 and 260 cm{sup −1} above, respectively. The equilibrium bond length 1.712 Å and the harmonic vibrational frequency 903 cm{sup −1} of the 5/2 state are close to the experimental measurement of 1.724 Å and 909 cm{sup −1}, which suggests that the 5/2 state should be the low-lying state that contributes to the experimental spectra. Moreover, the electronic states that give rise to the observed transition bands are assigned for Ω = 5/2 and 7/2 in terms of the obtained excited energies and oscillator strengths.

  9. Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes.

    PubMed

    Fayet, Guillaume; Jacquemin, Denis; Wathelet, Valérie; Perpète, Eric A; Rotureau, Patricia; Adamo, Carlo

    2010-02-26

    This work presents a quantitative structure-property relationship (QSPR)-based approach allowing an accurate prediction of the excited-state properties of organic dyes (anthraquinones and azobenzenes) from ground-state molecular descriptors, obtained within the (conceptual) density functional theory (DFT) framework. The ab initio computation of the descriptors was achieved at several levels of theory, so that the influence of the basis set size as well as of the modeling of environmental effects could be statistically quantified. It turns out that, for the entire data set, a statistically-robust four-variable multiple linear regression based on PCM-PBE0/6-31G calculations delivers a R(adj)(2) of 0.93 associated to predictive errors allowing for rapid and efficient dye design. All the selected descriptors are independent of the dye's family, an advantage over previously designed QSPR schemes. On top of that, the obtained accuracy is comparable to the one of the today's reference methods while exceeding the one of hardness-based fittings. QSPR relationships specific to both families of dyes have also been built up. This work paves the way towards reliable and computationally affordable color design for organic dyes. PMID:20036173

  10. Periodic ground state for the charged massive Schwinger model

    SciTech Connect

    Nagy, S.; Sailer, K.; Polonyi, J.

    2004-11-15

    It is shown that the charged massive Schwinger model supports a periodic vacuum structure for arbitrary charge density, similar to the common crystalline layout known in solid state physics. The dynamical origin of the inhomogeneity is identified in the framework of the bosonized model and in terms of the original fermionic variables.

  11. Using soil stress state transducers in freezing ground

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Three instrumented test sections of sand, silt and clay, were constructed to monitor the impact of frost layers on vehicle-induced stresses and to assess the performance of the sensors used to measure such stresses. One of the instruments used to measure in-situ stress is the soil Stress State Tran...

  12. Ordered ground states of metallic hydrogen and deuterium

    NASA Technical Reports Server (NTRS)

    Ashcroft, N. W.

    1981-01-01

    The physical attributes of some of the more physically distinct ordered states of metallic hydrogen and metallic deuterium at T = 0 and nearby are discussed. The likelihood of superconductivity in both is considered with respect to the usual coupling via the density fluctuations of the ions.

  13. The interaction potential of NO-H2 in ground and A Rydberg state

    NASA Astrophysics Data System (ADS)

    Pajón-Suárez, Pedro; Valentín-Rodríguez, Mónica; Hernández-Lamoneda, Ramón

    2016-08-01

    The interaction potential for the ground and A Rydberg state of NO-H2 has been calculated using high level ab initio methods. The complex is very floppy in nature and large amplitude motions are expected to characterize its dynamics. The ground state is characterized by two very close-lying states which exhibit crossings. By analogy with other complexes the Rydberg state is characterized by much smaller well depth and larger intermolecular distance. We compare with model potentials used in previous molecular dynamics simulations of photoexcitation and relaxation and conclude on the importance of performing new studies.

  14. Thermal ground-state ordering and elementary excitations in artificial magnetic square ice

    NASA Astrophysics Data System (ADS)

    Morgan, Jason P.; Stein, Aaron; Langridge, Sean; Marrows, Christopher H.

    2011-01-01

    Recent advances in nanotechnology allow model systems to be constructed, in which frustrated interactions can be tuned at will, such as artificial spin ice. The symmetry of the square ice lattice leads to the emergence of a long-range-ordered ground state from the manifold of frustrated states. However, it is experimentally very difficult to access using the effective thermodynamics of rotating-field demagnetization protocols, because the energy barriers to thermal equilibrium are extremely large. Here we study an as-fabricated sample that approaches the ground state very closely. We identify the small localized departures from the ground state as elementary excitations of the system, at frequencies that follow a Boltzmann law. We therefore identify the state we observe as the frozen-in residue of true thermodynamics that occurred during the fabrication of the sample. The relative proportions of different excitations are suggestive of monopole interactions during thermalization.

  15. Ground-state properties of a triangular triple quantum dot connected to superconducting leads

    NASA Astrophysics Data System (ADS)

    Oguri, Akira; Sato, Izumi; Shimamoto, Masashi; Tanaka, Yoichi

    2015-03-01

    We study ground-state properties of a triangular triple quantum dot connected to two superconducting (SC) leads. In this system orbital motion along the triangular configuration causes various types of quantum phases, such as the SU(4) Kondo state and the Nagaoka ferromagnetic mechanism, depending on the electron filling. The ground state also evolves as the Cooper pairs penetrate from the SC leads. We describe the phase diagram in a wide range of the parameter space, varying the gate voltage, the couplings between the dots and leads, and also the Josephson phase between the SC gaps. The results are obtained in the limit of large SC gap, carrying out exact diagonalization of an effective Hamiltonian. We also discuss in detail a classification of the quantum states according to the fixed point of the Wilson numerical renormalization group (NRG). Furthermore, we show that the Bogoliubov zero-energy excitation determines the ground state of a π Josephson junction at small electron fillings.

  16. The Ground State of the Pseudogap in Cuprate Superconductors

    NASA Astrophysics Data System (ADS)

    Valla, T.; Fedorov, A. V.; Lee, Jinho; Davis, J. C.; Gu, G. D.

    2006-12-01

    We present studies of the electronic structure of La2 xBaxCuO4, a system where the superconductivity is strongly suppressed as static spin and charge orders or “stripes” develop near the doping level of x = 18. Using angle-resolved photoemission and scanning tunneling microscopy, we detect an energy gap at the Fermi surface with magnitude consistent with d-wave symmetry and with linear density of states, vanishing only at four nodal points, even when superconductivity disappears at x = 18. Thus, the nonsuperconducting, striped state at x = 18 is consistent with a phase-incoherent d-wave superconductor whose Cooper pairs form spin-charge ordered structures instead of becoming superconducting.

  17. Mott Insulating Ground State on a Triangular Surface Lattice

    SciTech Connect

    Weitering, H.; Shi, X.; Weitering, H.; Johnson, P.; Chen, J.; DiNardo, N.; DiNardo, N.; Kempa, K.

    1997-02-01

    Momentum-resolved direct and inverse photoemission spectra of the K/Si(111)-({radical}(3){times}{radical}(3))R30{degree}-B interface reveals the presence of strongly localized surface states. The K overlayer remains nonmetallic up to the saturation coverage. This system most likely presents the first experimental realization of a frustrated spin 1/2 Heisenberg antiferromagnet on a two-dimensional triangular lattice. {copyright} {ital 1997} {ital The American Physical Society}

  18. Ground state of Ho atoms on Pt(111) metal surfaces: Implications for magnetism

    NASA Astrophysics Data System (ADS)

    Karbowiak, M.; Rudowicz, C.

    2016-05-01

    We investigated the ground state of Ho atoms adsorbed on the Pt(111) surface, for which conflicting results exist. The density functional theory (DFT) calculations yielded the Ho ground state as | Jz=±8 > . Interpretation of x-ray absorption spectroscopy and x-ray magnetic circular dichroism spectra and the magnetization curves indicated the ground state as | Jz=±6 > . Superposition model is employed to predict the crystal-field (CF) parameters based on the structural data for the system Ho/Pt(111) obtained from the DFT modeling. Simultaneous diagonalization of the free-ion (HFI) and the trigonal CF Hamiltonian (HCF) within the whole configuration 4 f10 of H o3 + ion was performed. The role of the trigonal CF terms, neglected in the pure uniaxial CF model used previously for interpretation of experimental spectra, is found significant, whereas the sixth-rank CF terms may be neglected in agreement with the DFT predictions. The results provide substantial support for the experimental designation of the | Jz=±6 > ground state, albeit with subtle difference due to admixture of other | Jz> states, but run against the DFT-based designation of the | Jz=±8 > ground state. A subtle splitting of the ground energy level with the state (predominantly), | Jz=±6 > is predicted. This paper provides better insight into the single-ion magnetic behavior of the Ho/Pt(111) system by helping to resolve the controversy concerning the Ho ground state. Experimental techniques with greater resolution powers are suggested for direct confirmation of this splitting and C3 v symmetry experienced by the Ho atom.

  19. Electric-field effects on He ground-state photoionization

    NASA Astrophysics Data System (ADS)

    Fang, T. K.; Chung, Kwong T.

    2001-04-01

    A saddle-point complex-rotation method is used to study the photoionization of helium in the presence of a dc electric field. A four-angular-symmetry calculation (i.e. Lmax = 3) is carried out to study two locally isolated resonance groups, one consisting of He (2, 5c) 1Po, (2, 5b) 1Se, (2, 6b) 1Po and (2, 6a) 1Se states, and the other consisting of He (2, 6c) 1Po, (2, 6b) 1Se, (2, 7b) 1Po and (2, 7a) 1Se states. The variations of the structure of cross section profiles and resonance strengths for the ML = 0 components of these two resonance groups are examined in detail. A general Ntot-state sum rule for the total resonance strength Stot is shown, which suggests that the sum of the total resonance strength of a locally isolated resonance group is not affected by the presence of a weak static field. We have also performed a five-symmetry (i.e. Lmax = 4) multichannel calculation for the doubly excited spectra converging to the n = 3 threshold of He+. Overlapping resonances are found and resolved.

  20. Ground-state and quenched-state properties of a one-dimensional interacting lattice gas in a random potential

    SciTech Connect

    Fonk, Y.; Hilhorst, H.J.

    1987-12-01

    The authors determine the zero-temperature properties of a one-dimensional lattice gas of particles that interact via a nearest neighbor exclusion potential and are subject to a random external field. The model is a special limiting case of the random field Ising chain. We calculate (1) the energy and density of the ground state as well as the local energy-density correlation and (2) the pair correlation function. The latter calculation gives access to all higher order correlations. The structure factor is shown to be a squared Lorentzian. The authors also compare the ground state to the quenched state obtained by sequentially filling the lowest available energy levels.

  1. Ground-Water Recharge in Humid Areas of the United States--A Summary of Ground-Water Resources Program Studies, 2003-2006

    USGS Publications Warehouse

    Delin, Geoffrey N.; Risser, Dennis W.

    2007-01-01

    Increased demands on water resources by a growing population and recent droughts have raised awareness about the adequacy of ground-water resources in humid areas of the United States. The spatial and temporal variability of ground-water recharge are key factors that need to be quantified to determine the sustainability of ground-water resources. Ground-water recharge is defined herein as the entry into the saturated zone of water made available at the water-table surface, together with the associated flow away from the water table within the saturated zone (Freeze and Cherry, 1979). In response to the need for better estimates of ground-water recharge, the Ground-Water Resources Program (GWRP) of the U.S. Geological Survey (USGS) began an initiative in 2003 to estimate ground-water recharge rates in the relatively humid areas of the United States.

  2. Determination and Comparison of Carbonyl Stretching Frequency of a Ketone in Its Ground State and the First Electronic Excited State

    ERIC Educational Resources Information Center

    Bandyopadhyay, Subhajit; Roy, Saswata

    2014-01-01

    This paper describes an inexpensive experiment to determine the carbonyl stretching frequency of an organic keto compound in its ground state and first electronic excited state. The experiment is simple to execute, clarifies some of the fundamental concepts of spectroscopy, and is appropriate for a basic spectroscopy laboratory course. The…

  3. Exploring the relationship between critical state and particle shape for granular materials

    NASA Astrophysics Data System (ADS)

    Yang, J.; Luo, X. D.

    2015-11-01

    The relationship between critical state and particle shape corresponds to the most fundamental aspect of the mechanics of granular materials. This paper presents an investigation into this relationship through macro-scale and micro-scale laboratory experiments in conjunction with interpretation and analysis in the framework of critical state soil mechanics. Spherical glass beads and crushed angular glass beads of different percentages were mixed with a uniform quartz sand (Fujian sand) to create a sequence of mixtures with varying particle shape. On the micro-scale, particle shape was accurately measured using a laser scanning technique, and was characterized by aspect ratio, sphericity and convexity; a new shape index, taken as the average of the three shape measures and referred to as overall regularity, was proposed to provide a collective characterization of particle shape. On the macro-scale, both undrained and drained triaxial tests were carried out to provide evidence that varying particle shape can alter the overall response as well as the critical states in both stress space and volumetric compression space. The mixtures of Fujian sand and spherical glass beads were found to be markedly more susceptible to liquefaction than the mixtures of Fujian sand and crushed angular glass beads. The change in liquefaction susceptibility was shown to be consistent with the change in the position of the critical state locus (CSL) in the compression space, manifested by a decrease in the intercept and gradient of the CSL due to the presence of spherical glass beads. Quantitative relationships have been established between each of the critical state parameters and each of the shape parameters, thereby providing a way to construct macro-scale constitutive models with intrinsic micro-scale properties built in.

  4. Ground state energy of solid molecular hydrogen at high pressure

    NASA Technical Reports Server (NTRS)

    Ebner, C.; Sung, C. C.

    1972-01-01

    The present status of the theoretical equation of state of solid molecular hydrogen is reviewed. Different quantum mechanical calculations by several groups lead to results which generally agree with each other but which disagree systematically with the measured pressure-volume curve at pressures larger than about 3000 atm. A new calculation of this curve is presented including the effect of the anisotropic interaction between H2 molecules within a completely quantum-mechanical formalism. The results show that inclusion of this interaction removes the discrepancy between theory and experiment at high pressures and that a quantum-mechanical treatment is necessary to realize its full effect.

  5. Methods and Indicators for Assessment of Regional Ground-Water Conditions in the Southwestern United States

    USGS Publications Warehouse

    Tillman, Fred D; Leake, Stanley A.; Flynn, Marilyn E.; Cordova, Jeffrey T.; Schonauer, Kurt T.; Dickinson, Jesse E.

    2008-01-01

    Monitoring the status and trends in the availability of the Nation's ground-water supplies is important to scientists, planners, water managers, and the general public. This is especially true in the semiarid to arid southwestern United States where rapid population growth and limited surface-water resources have led to increased use of ground-water supplies and water-level declines of several hundred feet in many aquifers. Individual well observations may only represent aquifer conditions in a limited area, and wells may be screened over single or multiple aquifers, further complicating single-well interpretations. Additionally, changes in ground-water conditions may involve time scales ranging from days to many decades, depending on the timing of recharge, soil and aquifer properties, and depth to the water table. The lack of an easily identifiable ground-water property indicative of current conditions, combined with differing time scales of water-level changes, makes the presentation of ground-water conditions a difficult task, particularly on a regional basis. One approach is to spatially present several indicators of ground-water conditions that address different time scales and attributes of the aquifer systems. This report describes several methods and indicators for presenting differing aspects of ground-water conditions using water-level observations in existing data-sets. The indicators of ground-water conditions developed in this study include areas experiencing water-level decline and water-level rise, recent trends in ground-water levels, and current depth to ground water. The computer programs written to create these indicators of ground-water conditions and display them in an interactive geographic information systems (GIS) format are explained and results illustrated through analyses of ground-water conditions for selected alluvial basins in the Lower Colorado River Basin in Arizona.

  6. The ground electronic state of KCs studied by Fourier transform spectroscopy

    NASA Astrophysics Data System (ADS)

    Ferber, R.; Klincare, I.; Nikolayeva, O.; Tamanis, M.; Knöckel, H.; Tiemann, E.; Pashov, A.

    2008-06-01

    We present here the first analysis of laser induced fluorescence (LIF) of the KCs molecule obtaining highly accurate data and perform a direct potential construction for the X 1Σ+ ground state in a wide range of internuclear distances. KCs molecules were produced by heating a mixture of K and Cs metals in a heat pipe at a temperature of about 270 °C. KCs fluorescence was induced by different laser sources: the 454.5, 457.9, 465.8, and 472.7 nm lines of an Ar+ laser, a dye laser with Rhodamine 6G dye (excitation at around 16 870 cm-1), and 850 and 980 nm diode lasers (11 500-11 900 and 10 200-10 450 cm-1 tuning ranges, respectively). The LIF to the ground state was recorded by a Bruker IFS-125HR Fourier transform spectrometer with a spectral resolution of 0.03 cm-1. Particularly, by applying the 850 nm laser diode we were able to observe LIF progressions to very high vibrational levels of the ground state close to the dissociation limit. The present data field contains 7226 term values for the ground state X 1Σ+ and covers a range from v''=0 to 97 with J'' varying from 12 to 209. More than 10 000 fluorescence lines were used to fit the ground state potential energy curve via the inverted perturbation approach procedure. The present empirical potential extends up to approximately 12.6 A˚ and covers more than 99% of the potential well depth, it describes most of the spectral lines with an accuracy of about 0.003 cm-1 and yields a dissociation energy of 4069.3+/-1.5 cm-1 for the ground state X 1Σ+. First observations of the triplet ground state a 3Σ+ of KCs are presented, and preliminary values of few main molecular constants could be derived.

  7. Towards Chemically Stable Fermionic Ground State Molecules with Strong Dipolar Interactions

    NASA Astrophysics Data System (ADS)

    Will, Sebastian; Park, Jee; Wu, Cheng-Hsun; Schloss, Jennifer; Zwierlein, Martin

    2013-05-01

    Quantum gases with dipolar interactions will open new avenues for the creation of novel quantum many-body systems with intriguing properties, ranging from crystalline over magnetic to topological phases. A promising route for the experimental realization of dipolar quantum gases is the formation of fermionic ground-state molecules with a large electric dipole moment, giving rise to long-range anisotropic interactions. With our experiment we work towards the realization of fermionic ground state molecules of 23Na40K. The NaK ground state molecule is chemically stable and possesses a large induced electric dipole moment of 2.72 Debye. In pioneering studies, we have created nearly degenerate samples of weakly bound 23Na40K Feshbach molecules. With a long lifetime and a significant admixture of the electronic spin singlet state, the Feshbach molecules are an ideal starting point to reach the singlet rovibrational ground state with a two-photon STIRAP transfer. Aiming for an efficient transfer path, we have performed spectroscopic studies on excited and ground state molecular potentials of 23Na40K and will report on our current progress. This work was supported by the NSF, AFOSR-MURI and -PECASE, ARO-MURI, ONR YIP, DARPA YFA, a grant from the Army Research Office with funding from the DARPA OLE program and the David and Lucille Packard Foundation.

  8. Ground-state properties of linear-exchange quantum spin models

    NASA Astrophysics Data System (ADS)

    Danu, Bimla; Kumar, Brijesh; Pai, Ramesh V.

    2012-10-01

    We study a class of one-dimensional antiferromagnetic quantum spin-1/2 models using DMRG. The exchange interaction in these models decreases linearly with the separation between the spins, Jij = R - |i - j| for |i - j| < R, where R is a positive integer ⩾2. For |i - j| ⩾ R, the interaction is zero. It is known that all the odd-R models have the same exact dimer ground state as the Majumdar-Ghosh (MG) model. In fact, R = 3 is the MG model. However, for an even R, the exact ground state is not known in general, except for R = 2 (the integrable nearest-neighbor Heisenberg chain) and the asymptotic limit of R in which the MG dimer state emerges as the exact ground state. Therefore, we numerically study the ground-state properties of the finite even-R ≠ 2 models, particularly for R = 4, 6 and 8. We find that, unlike R = 2, the higher even-R models are spin-gapped, and exhibit robust dimer order of the MG type in the ground state. The spin-spin correlations decay rapidly to zero, albeit showing weak periodic revivals.

  9. Ground State Destabilization by Anionic Nucleophiles Contributes to the Activity of Phosphoryl Transfer Enzymes

    PubMed Central

    Andrews, Logan D.; Fenn, Tim D.; Herschlag, Daniel

    2013-01-01

    Enzymes stabilize transition states of reactions while limiting binding to ground states, as is generally required for any catalyst. Alkaline Phosphatase (AP) and other nonspecific phosphatases are some of Nature's most impressive catalysts, achieving preferential transition state over ground state stabilization of more than 1022-fold while utilizing interactions with only the five atoms attached to the transferred phosphorus. We tested a model that AP achieves a portion of this preference by destabilizing ground state binding via charge repulsion between the anionic active site nucleophile, Ser102, and the negatively charged phosphate monoester substrate. Removal of the Ser102 alkoxide by mutation to glycine or alanine increases the observed Pi affinity by orders of magnitude at pH 8.0. To allow precise and quantitative comparisons, the ionic form of bound Pi was determined from pH dependencies of the binding of Pi and tungstate, a Pi analog lacking titratable protons over the pH range of 5–11, and from the 31P chemical shift of bound Pi. The results show that the Pi trianion binds with an exceptionally strong femtomolar affinity in the absence of Ser102, show that its binding is destabilized by ≥108-fold by the Ser102 alkoxide, and provide direct evidence for ground state destabilization. Comparisons of X-ray crystal structures of AP with and without Ser102 reveal the same active site and Pi binding geometry upon removal of Ser102, suggesting that the destabilization does not result from a major structural rearrangement upon mutation of Ser102. Analogous Pi binding measurements with a protein tyrosine phosphatase suggest the generality of this ground state destabilization mechanism. Our results have uncovered an important contribution of anionic nucleophiles to phosphoryl transfer catalysis via ground state electrostatic destabilization and an enormous capacity of the AP active site for specific and strong recognition of the phosphoryl group in the transition

  10. Production of a Quantum Gas of Rovibronic Ground-State Molecules in AN Optical Lattice

    NASA Astrophysics Data System (ADS)

    Danzl, Johann G.; Mark, Manfred J.; Haller, Elmar; Gustavsson, Mattias; Hart, Russell; Nägerl, Hanns-Christoph

    2010-02-01

    Recent years have seen tremendous progress in the field of cold and ultracold molecules. A central goal in the field is currently the realization of stable rovibronic ground-state molecular samples in the regime of quantum degeneracy, e.g. in the form of molecular Bose-Einstein condensates, molecular degenerate Fermi gases, or, when an optical lattice is present, molecular Mott-insulator phases. However, molecular samples are not readily cooled to the extremely low temperatures at which quantum degeneracy occurs. In particular, laser cooling, the 'workhorse' for the field of atomic quantum gases, is generally not applicable to molecular samples. Here we take an important step beyond previous work1 and provide details on the realization of an ultracold quantum gas of ground-state dimer molecules trapped in an optical lattice as recently reported in Ref. 2. We demonstrate full control over all internal and external quantum degrees of freedom for the ground-state molecules by deterministically preparing the molecules in a single quantum state, i.e. in a specific hyperfine sublevel of the rovibronic ground state, while the molecules are trapped in the motional ground state of the individual lattice wells. We circumvent the problem of cooling by associating weakly-bound molecules out of a zero-temperature atomic Mott-insulator state and by transferring these to the absolute ground state in a four-photon STIRAP process. Our preparation procedure directly leads to a long-lived, lattice-trapped molecular many-body state, which we expect to form the platform for many of the envisioned future experiments with molecular quantum gases, e.g. on precision molecular spectroscopy, quantum information science, and dipolar quantum systems.

  11. Surface modification using low energy ground state ion beams

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael H. (Inventor); Orient, Otto J. (Inventor)

    1990-01-01

    A method of effecting modifications at the surfaces of materials using low energy ion beams of known quantum state, purity, flux, and energy is presented. The ion beam is obtained by bombarding ion-generating molecules with electrons which are also at low energy. The electrons used to bombard the ion generating molecules are separated from the ions thus obtained and the ion beam is directed at the material surface to be modified. Depending on the type of ion generating molecules used, different ions can be obtained for different types of surface modifications such as oxidation and diamond film formation. One area of application is in the manufacture of semiconductor devices from semiconductor wafers.

  12. Interactions Between Ground-State Nitrogen Atoms and Molecules

    NASA Technical Reports Server (NTRS)

    Vanderslice, Joseph T.; Mason, Edward A.; Lippincott, Ellis R.

    1959-01-01

    Potential-energy curves for nitrogen atom (N-N) interactions corresponding to the X (1)Sigma(sup +, sub g), A (3)Sigma(sup +, sub u), (5)Sigma(sup +, sub g), (7)Sigma(sup +, sub u), B (3) Pi(sub g), C (3)(Pi(su u)and a (1)Pi(sub g) states of the nitrogen molecule N2 as well as curves for the atom-molecules (N-N2) and molecule-molecule (N2-N2) interactions have been calculated. All calculations have been based as nearly as possible on experimental data, including spectroscopically determined vibrational energy levels, scattering cross sections of atomic beams in gases, and measured vibrational relaxation times. In cases where experimental data were not available, approximate quantum-mechanical calculations have been made. Results obtained by these various methods are remarkably consistent with one another and are believed to have good accuracy.

  13. Pre-flyby Determination Of The Size, Shape, Pole, Density, And Satellites Of (21) Lutetia From Ground-based Observations

    NASA Astrophysics Data System (ADS)

    Merline, William J.; Carry, B.; Drummond, J. D.; Conrad, A.; Chapman, C. R.; Kaasalainen, M.; Leyrat, C.; Weaver, H. A.; Tamblyn, P. M.; Christou, J. C.; Dumas, C.; Kryszczynska, A.; Colas, F.; Bernasconi, L.; Behrend, R.; Vachier, F.; Polinska, M.; Roy, R.; Naves, R.; Poncy, R.; Wiggins, P.

    2010-10-01

    Prior to the flyby of (21) Lutetia by Rosetta, we initiated a campaign of observations to characterize the system, primarily using ground-based adaptive optics (AO) on large telescopes, including Keck, Gemini, and VLT. We coordinated these efforts with HST observations (Weaver et al. 2010 A&A in press) made in support of the Rosetta ALICE UV spectrometer. Lutetia was 0.10" in diameter, allowing disk-resolved imaging with AO and tracking of its shape during rotation. We modeled the shape using both a triaxial-ellipsoid model (Drummond et al. 2010 A&A submitted) and a full 3D radius-vector model (Carry et al. 2010 A&A submitted, in which we combine AO imaging with decades of lightcurve data to produce an improved 3D model using our inversion algorithm KOALA). To overcome limitations in each model, we combined the best aspects of each to produce our best-estimate 3D shape model, a hybrid having ellipsoid-equivalent dimensions of 124 x 101 x 93 km (± 5 x 4 x 13 km) and effective diameter 105 ± 7 km. We find the spin axis of Lutetia to lie within 5 deg of [long, lat (52,-6)] or [RA DEC (52,+12)], and determine an improved sidereal period of 8.168270 ± 0.000001 h. We predicted the geometry of Lutetia during the flyby and showed that the southern hemisphere would be in seasonal shadow at that time. The model suggests the presence of several concavities that may be associated with large impacts. Using two separately determined masses and the volume of our hybrid model, we estimate a density of 3.5 ± 1.1 or 4.3 ± 0.8 g/cc, favoring an enstatite-chondrite composition for this large M-type asteroid, although other compositions are formally allowed. No satellites larger than 1 km diameter were detected in the AO-data over a significant fraction of the Hill sphere (10-240 asteroid radii).

  14. Momentum Distribution and Ground-State Energy of Liquid 4He at the Absolute Zero Temperature

    NASA Astrophysics Data System (ADS)

    Nishiyama, T.; Watanabe, Y.

    1980-11-01

    In the scheme of the density and phase operator approach, the momentum distribution nk and the ground-state energy E0 are obtained by employing the structure factor and the radial distribution function calculated by Chang and Campbell for the Morse dipole-dipole potential. The condensate fraction, the ratio of the occupation number of the single-particle zero-momentum state N0/N amounts to 0.096. The momentum distribution diverges as k-1 in the low-wave number limit. The ground-state energy becomes E0=-6.9NK at the mean density ρ0=0.02185Å-3.

  15. Learning Approach on the Ground State Energy Calculation of Helium Atom

    SciTech Connect

    Shah, Syed Naseem Hussain

    2010-07-28

    This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function.The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.

  16. Learning Approach on the Ground State Energy Calculation of Helium Atom

    NASA Astrophysics Data System (ADS)

    Shah, Syed Naseem Hussain

    2010-07-01

    This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function. The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.

  17. Exact many-electron ground states on the diamond Hubbard chain

    NASA Astrophysics Data System (ADS)

    Gulacsi, Zsolt; Kampf, Arno; Vollhardt, Dieter

    2008-03-01

    Exact ground states of interacting electrons on the diamond Hubbard chain in a magnetic field are constructed which exhibit a wide range of properties such as flat-band ferromagnetism, correlation induced metallic, half-metallic, or insulating behavior [1]. The properties of these ground states can be tuned by changing the magnetic flux, local potentials, or electron density.The results show that the studied simple one-dimensional structure displays remarkably complex physical properties. The virtue of tuning different ground states through external parameters points to new possibilities for the design of electronic devices which can switch between insulating or conducting and nonmagnetic or (fully or partially spin polarized) ferromagnetic states, open new routes for the design of spin-valve devices and gate induced ferromagnetism. [1] Z. Gulacsi, A. Kampf, D. Vollhardt, Phys. Rev. Lett. 99, 026404(2007).

  18. A quantum gas of ground state molecules in an optical lattice

    NASA Astrophysics Data System (ADS)

    Danzl, Johann; Mark, Manfred; Haller, Elmar; Gustavsson, Mattias; Hart, Russell; Nägerl, Hanns-Christoph

    2009-05-01

    Ultracold samples of molecules are ideally suited for fundamental studies in physics and chemistry. For many of the proposed experiments full molecular state control and high phase space densities are needed. We create a dense quantum gas of ground state Cs2 molecules trapped at the wells of a 3D optical lattice, i.e. a molecular Mott-insulator-like state with ground state molecules with vibrational quantum number v = 0. We first efficiently produce weakly bound molecules with v 155 on a Feshbach resonance out of an atomic Mott-insulator state that is obtained from a Bose-Einstein condensate (BEC) of Cs atoms. These molecules are then (coherently) transferred to the ground state by two sequential two-photon STIRAP processes via the intermediate vibrational level v 73 ^1. The molecule production efficiency and the single-step STIRAP transfer efficiency reach 50% and 80%, respectively. We discuss the stability of the system and our progress towards the creation of a BEC of ground state molecules, which is expected to form when the molecular Mott-like state is ``melted'' upon lowering the lattice depth and releasing the molecules from the wells into a large volume trap. ^1J. G. Danzl, E. Haller, M. Gustavsson, M. Mark, R. Hart, N. Bouloufa, O. Dulieu, H. Ritsch, H.-C. Nägerl, Science 321, 1062 (2008).

  19. Universal dynamic magnetism in Yb pyrochlores with disparate ground states

    NASA Astrophysics Data System (ADS)

    Hallas, A. M.; Gaudet, J.; Butch, N. P.; Tachibana, M.; Freitas, R. S.; Luke, G. M.; Wiebe, C. R.; Gaulin, B. D.

    2016-03-01

    The ytterbium pyrochlore magnets, Yb2B2O7 (B =Sn ,Ti ,Ge ) are well described by Seff=1 /2 quantum spins decorating a network of corner-sharing tetrahedra and interacting via anisotropic exchange. Structurally, only the nonmagnetic B -site cation, and hence primarily the lattice parameter, changes across the series. Nonetheless, a range of magnetic behaviors is observed: the low-temperature magnetism in Yb2Ti2O7 and Yb2Sn2O7 has a ferromagnetic character, while Yb2Ge2O7 displays an antiferromagnetically ordered Néel state at low temperatures. While the static properties of the ytterbium pyrochlores are distinct, inelastic neutron scattering measurements reveal a common character to their exotic spin dynamics. All three ytterbium pyrochlores show a gapless continuum of spin excitations, resembling overdamped ferromagnetic spin waves at low Q . Furthermore, the specific heat of the series also follows a common form, with a broad, high-temperature anomaly followed by a sharp low-temperature anomaly at TC or TN. The novel spin dynamics we report correlate strongly with the broad specific heat anomaly only, remaining unchanged across the sharp anomaly. This result suggests that the primary order parameter in the ytterbium pyrochlores associated with the sharp anomaly is "hidden" and not simple magnetic dipole order.

  20. Hydrogeologic factors that influence ground water movement in the desert southwest United States

    USGS Publications Warehouse

    Chuang, Frank C.; McKee, Edwin H.; Howard, Keith A.

    2003-01-01

    A project to study ground-water and surface-water interactions in the desert southwestern United States was initiated in 2001 by the Tucson, Arizona office of the Water Resources Division, U.S. Geological Survey (USGS). One of the goals of the Southwest Ground-water Resources Project was to develop a regional synthesis that includes the use of available digital geologic data, which is growing rapidly due to the increasing use of Geographic Information Systems (GIS). Included in this report are the digital maps and databases of geologic information that should have a direct impact on the studies of ground-water flow and surface-water interaction. Ground-water flow is governed by many geologic factors or elements including rock and soil permeability, stratigraphy and structural features. These elements directly influence ground-water flow, which is key to understanding the possible inter-connectivity of aquifer systems in desert basins of the southwestern United States. We derive these elements from the evaluation of regional geology and localized studies of hydrogeologic basins. These elements can then be applied to other unstudied areas throughout the desert southwest. This report presents a regional perspective of the geologic elements controlling ground-water systems in the desert southwest that may eventually lead to greater focus on smaller sub-regions and ultimately, to individual ground-water basins.

  1. Interactions leading to disordered ground states and unusual low-temperature behavior.

    PubMed

    Batten, Robert D; Stillinger, Frank H; Torquato, Salvatore

    2009-09-01

    We have shown that any pair potential function v(r) possessing a Fourier transform V(k) that is positive and has compact support at some finite wave number K yields classical disordered ground states for a broad density range [R. D. Batten, F. H. Stillinger, and S. Torquato, J. Appl. Phys. 104, 033504 (2008)]. By tuning a constraint parameter chi (defined in the text), the ground states can traverse varying degrees of local order from fully disordered to crystalline ground states. Here, we show that in two dimensions, the " k -space overlap potential," where V(k) is proportional to the intersection area between two disks of diameter K whose centers are separated by k , yields anomalous low-temperature behavior, which we attribute to the topography of the underlying energy landscape. At T=0 , for the range of densities considered, we show that there is continuous energy degeneracy among Bravais-lattice configurations. The shear elastic constant of ground-state Bravais-lattice configurations vanishes. In the harmonic regime, a significant fraction of the normal modes for both amorphous and Bravais-lattice ground states have vanishing frequencies, indicating the lack of an internal restoring force. Using molecular-dynamics simulations, we observe negative thermal-expansion behavior at low temperatures, where upon heating at constant pressure, the system goes through a density maximum. For all temperatures, isothermal compression reduces the local structure of the system unlike typical single-component systems. PMID:19905060

  2. Interactions leading to disordered ground states and unusual low-temperature behavior

    NASA Astrophysics Data System (ADS)

    Batten, Robert D.; Stillinger, Frank H.; Torquato, Salvatore

    2009-09-01

    We have shown that any pair potential function v(r) possessing a Fourier transform V(k) that is positive and has compact support at some finite wave number K yields classical disordered ground states for a broad density range [R. D. Batten, F. H. Stillinger, and S. Torquato, J. Appl. Phys. 104, 033504 (2008)]. By tuning a constraint parameter χ (defined in the text), the ground states can traverse varying degrees of local order from fully disordered to crystalline ground states. Here, we show that in two dimensions, the “ k -space overlap potential,” where V(k) is proportional to the intersection area between two disks of diameter K whose centers are separated by k , yields anomalous low-temperature behavior, which we attribute to the topography of the underlying energy landscape. At T=0 , for the range of densities considered, we show that there is continuous energy degeneracy among Bravais-lattice configurations. The shear elastic constant of ground-state Bravais-lattice configurations vanishes. In the harmonic regime, a significant fraction of the normal modes for both amorphous and Bravais-lattice ground states have vanishing frequencies, indicating the lack of an internal restoring force. Using molecular-dynamics simulations, we observe negative thermal-expansion behavior at low temperatures, where upon heating at constant pressure, the system goes through a density maximum. For all temperatures, isothermal compression reduces the local structure of the system unlike typical single-component systems.

  3. Creation of an Ultracold Gas of Ground-State Dipolar 23Na 87 Molecules

    NASA Astrophysics Data System (ADS)

    Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier; Wang, Dajun

    2016-05-01

    We report the successful production of an ultracold sample of absolute ground-state 23Na 87Rb molecules. Starting from weakly bound Feshbach molecules formed via magnetoassociation, the lowest rovibrational and hyperfine level of the electronic ground state is populated following a high-efficiency and high-resolution two-photon Raman process. The high-purity absolute ground-state samples have up to 8000 molecules and densities of over 1011 cm-3 . By measuring the Stark shifts induced by external electric fields, we determined the permanent electric dipole moment of the absolute ground-state 23Na 87Rb and demonstrated the capability of inducing an effective dipole moment over 1 D. Bimolecular reaction between ground-state 23Na 87Rb molecules is endothermic, but we still observed a rather fast decay of the molecular sample. Our results pave the way toward investigation of ultracold molecular collisions in a fully controlled manner and possibly to quantum gases of ultracold bosonic molecules with strong dipolar interactions.

  4. Exact ground states and topological order in interacting Kitaev/Majorana chains

    NASA Astrophysics Data System (ADS)

    Katsura, Hosho; Schuricht, Dirk; Takahashi, Masahiro

    2015-09-01

    We study a system of interacting spinless fermions in one dimension that, in the absence of interactions, reduces to the Kitaev chain [Kitaev, Phys. Usp. 44, 131 (2001), 10.1070/1063-7869/44/10S/S29]. In the noninteracting case, a signal of topological order appears as zero-energy modes localized near the edges. We show that the exact ground states can be obtained analytically even in the presence of nearest-neighbor repulsive interactions when the on-site (chemical) potential is tuned to a particular function of the other parameters. As with the noninteracting case, the obtained ground states are twofold degenerate and differ in fermionic parity. We prove the uniqueness of the obtained ground states and show that they can be continuously deformed to the ground states of the noninteracting Kitaev chain without gap closing. We also demonstrate explicitly that there exists a set of operators each of which maps one of the ground states to the other with opposite fermionic parity. These operators can be thought of as an interacting generalization of Majorana edge zero modes.

  5. Boron: do we know the ground state structure?

    NASA Astrophysics Data System (ADS)

    Ogitsu, Tadashi

    2006-03-01

    Boron is only the fifth element in the periodic table, having a simple electronic configuration, yet, it is known to form one of the most complicated crystal structures, β-rhombohedral structure. Up to date, the best estimate on the number of atoms in its hexagonal unit cell is 320.1, not even an integer number. The key concept to understand its complexity is covalency and electron deficiency: It does not have enough valence electrons to form a simple covalent crystal, like carbon or silicon. Instead it forms a complicated packing of icosahedrons. The structural model of β-boron was developed in the 1960s based on X-ray experiment. Although this model structure captures the most of the structural characteristics of β-boron, it has a crucial pitfall; the number of atoms per cell estimated by X-ray experiment does not agree with the number of atoms estimated by the pycnometric density. In 1988, Slack et al. discovered four more POS, by which the discrepancy in the number of atoms is reconciled [J. of Solid State Chem. 76, 52 (1988)]. There still remains an unanswered question; how are these POS atoms configured? Is it completely random? Or there is some kind of order as it has been suggested in Slack’s paper? A major challenge here is the astronomical number of possible configurations, roughly 150 million even for the irreducible cell. We tackle this problem using ab-initio simulated annealing coupled with a Lattice Model Monte Carlo simulated annealing. Our results reveal that the stable structure, indeed, has a certain type of correlation in its POS configuration. More detail on the structural property and its impact on electronic property of β-boron will be discussed at the presentation. This work was performed under the auspices of the U.S. Dept. of Energy at the University of California/ LLNL under contract no. W-7405-Eng-48.

  6. Anomalous magnetic hyperfine structure of the 229Th ground-state doublet in muonic atoms

    NASA Astrophysics Data System (ADS)

    Tkalya, E. V.

    2016-07-01

    The magnetic hyperfine (MHF) splitting of the ground and low-energy 3 /2+(7.8 ±0.5 eV) levels in the 229Th nucleus in the muonic atom (μ1S1 /2 -229Th) * is calculated considering the distribution of the nuclear magnetization in the framework of the collective nuclear model with wave functions of the Nilsson model for the unpaired neutron. It is shown that (a) deviation of the MHF structure of the isomeric state exceeds 100% from its value for a pointlike nuclear magnetic dipole (the order of sublevels is reversed); (b) partial inversion of levels of the 229Th ground-state doublet and spontaneous decay of the ground state to the isomeric state occur; (c) the E 0 transition, which is sensitive to differences in the mean-square charge radii of the doublet states, is possible between mixed sublevels with F =2 ; and (d) MHF splitting of the 3 /2+ isomeric state may be in the optical range for certain values of the intrinsic gK factor and a reduced probability of a nuclear transition between the isomeric and the ground states.

  7. Improved Algorithms for Radar-Based Reconstruction of Asteroid Spin States and Shapes

    NASA Astrophysics Data System (ADS)

    Greenberg, Adam; Margot, Jean-Luc

    2015-11-01

    Earth-based radar is a powerful tool for gathering information about bodies in the Solar System. Radar observations can dramatically improve the determination of the physical properties and orbital elements of small bodies (such as asteroids and comets). An important development in the past two decades has been the formulation and implementation of algorithms for asteroid shape reconstruction based on radar data.Because of the nature of radar data, recovery of the spin state depends on knowledge of the shape and vice versa. Even with perfect spin state information, certain peculiarities of radar images (such as the two-to-one or several-to-one mapping between surface elements on the object and pixels within the radar image) make recovery of the physical shape challenging. This is a computationally intensive problem, potentially involving hundreds to thousands of free parameters and millions of data points.The method by which radar-based shape and spin state modelling is currently accomplished, a Sequential Parameter Fit (SPF), is relatively slow, and incapable of determining the spin state of an asteroid from radar images without substantial user intervention.We implemented a global-parameter optimizer and Square Root Information Filter (SRIF) into the asteroid-modelling software shape. This optimizer can find shapes more quickly than the current method and can determine the asteroid’s spin state.We ran our new algorithm, along with the existing SPF, through several tests, composed of both real and simulated data. The simulated data were composed of noisy images of procedurally generated shapes, as well as noisy images of existing shape models. The real data included recent observations of both 2000 ET70 and 1566 Icarus.These tests indicate that SRIF is faster and more accurate than SPF. In addition, SRIF can autonomously determine the spin state of an asteroid from a variety of starting conditions, a considerable advance over the existing algorithm. We will

  8. Preformation probability inside α emitters having different ground state spin-parity than their daughters

    NASA Astrophysics Data System (ADS)

    Seif, W. M.; Botros, M. M.; Refaie, A. I.

    2015-10-01

    The ground state spin and parity of a daughter formed in a radioactive α emitter are expected to influence the preformation probability of the α and daughter clusters inside it. We investigate the α and daughter preformation probability inside odd-A and doubly odd radioactive nuclei when the daughter and parent are of different spin and/or parity. We consider only the ground state to ground state unfavored decays. This is to extract precise information about the effect of the difference in the spin-parity of the ground states of the involved nuclei far away from any influence from the excitation energy, if the decays are coming from isomeric states. The calculations are done for 161 α emitters, with 65 ≤Z ≤112 and 84 ≤N ≤173 , in the framework of the extended cluster model, with the Wentzel-Kramers-Brillouin penetrability and assault frequency. We used a Hamiltonian energy density scheme based on the Skyrme SLy4 interaction to compute the interaction potential. The α -plus-cluster preformation probability is extracted from the calculated decay width and the experimental half-life time. We discussed in detailed steps the effect of the angular momentum of the emitted α particle on the various physical quantities involved in the unfavored decay process and how it finally increases the half-life time. We found that if the ground state spin and/or parity of parent and daughter nuclei are different, then the preformation probability of the α cluster inside the parent is less than it would be if they had similar spin-parity. We modified the formula that gives the α preformation probability in terms of the numbers of protons and neutrons outside the shell closures of the parent, to account for this hindrance in the preformation probability for the unfavored decays between ground states.

  9. Measurement of the sign of the spectroscopic quadrupole moment for the 2(1)+ state in 70Se: no evidence for oblate shape.

    PubMed

    Hurst, A M; Butler, P A; Jenkins, D G; Delahaye, P; Wenander, F; Ames, F; Barton, C J; Behrens, T; Bürger, A; Cederkäll, J; Clément, E; Czosnyka, T; Davinson, T; de Angelis, G; Eberth, J; Ekström, A; Franchoo, S; Georgiev, G; Görgen, A; Herzberg, R-D; Huyse, M; Ivanov, O; Iwanicki, J; Jones, G D; Kent, P; Köster, U; Kröll, T; Krücken, R; Larsen, A C; Nespolo, M; Pantea, M; Paul, E S; Petri, M; Scheit, H; Sieber, T; Siem, S; Smith, J F; Steer, A; Stefanescu, I; Syed, N U H; Van de Walle, J; Van Duppen, P; Wadsworth, R; Warr, N; Weisshaar, D; Zielińska, M

    2007-02-16

    Using a method whereby molecular and atomic ions are independently selected, an isobarically pure beam of 70Se ions was postaccelerated to an energy of 206 MeV using REX-ISOLDE. Coulomb-excitation yields for states in the beam and target nuclei were deduced by recording deexcitation gamma rays in the highly segmented MINIBALL gamma-ray spectrometer in coincidence with scattered particles in a silicon detector. At these energies, the Coulomb-excitation yield for the first 2+ state is expected to be strongly sensitive to the sign of the spectroscopic quadrupole moment through the nuclear reorientation effect. Experimental evidence is presented here for a prolate shape for the first 2+ state in 70Se, reopening the question over whether there are, as reported earlier, deformed oblate shapes near to the ground state in the light selenium isotopes. PMID:17359019

  10. Formation of Triplet Positron-helium Bound State by Stripping of Positronium Atoms in Collision with Ground State Helium

    NASA Technical Reports Server (NTRS)

    Drachman, Richard J.

    2006-01-01

    Formation of triplet positron-helium bound state by stripping of positronium atoms in collision with ground state helium JOSEPH DI RlENZI, College of Notre Dame of Maryland, RICHARD J. DRACHMAN, NASA/Goddard Space Flight Center - The system consisting of a positron and a helium atom in the triplet state e(+)He(S-3)(sup e) was conjectured long ago to be stable [1]. Its stability has recently been established rigorously [2], and the values of the energies of dissociation into the ground states of Ps and He(+) have also been reported [3] and [4]. We have evaluated the cross-section for this system formed by radiative attachment of a positron in triplet He state and found it to be small [5]. The mechanism of production suggested here should result in a larger cross-section (of atomic size) which we are determining using the Born approximation with simplified initial and final wave functions.

  11. Solvent effects on the absorption and fluorescence spectra of quinine sulphate: Estimation of ground and excited-state dipole moments

    NASA Astrophysics Data System (ADS)

    Joshi, Sunita; Pant, Debi D.

    2012-06-01

    Ground and excited state dipole moments of probe quinine sulphate (QS) was obtained using Solvatochromic shift method. Higher dipole moment is observed for excited state as compared to the ground state which is attributed to the higher polarity of excited state.

  12. Broken vertex symmetry and finite zero-point entropy in the artificial square ice ground state

    NASA Astrophysics Data System (ADS)

    Gliga, Sebastian; Kákay, Attila; Heyderman, Laura J.; Hertel, Riccardo; Heinonen, Olle G.

    2015-08-01

    We study degeneracy and entropy in the ground state of artificial square ice. In theoretical models, individual nanomagnets are typically treated as single spins with only two degrees of freedom, leading to a twofold degenerate ground state with intensive entropy and thus no zero-point entropy. Here, we show that the internal degrees of freedom of the nanostructures can result, through edge bending of the magnetization and breaking of local magnetic symmetry at the vertices, in a transition to a highly degenerate ground state with finite zero-point entropy, similar to that of the pyrochlore spin ices. We find that these additional degrees of freedom have observable consequences in the resonant spectrum of the lattice, and predict the occurrence of edge "melting" above a critical temperature at which the magnetic symmetry is restored.

  13. Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet.

    PubMed

    Fu, Mingxuan; Imai, Takashi; Han, Tian-Heng; Lee, Young S

    2015-11-01

    The kagome Heisenberg antiferromagnet is a leading candidate in the search for a spin system with a quantum spin-liquid ground state. The nature of its ground state remains a matter of active debate. We conducted oxygen-17 single-crystal nuclear magnetic resonance (NMR) measurements of the spin-1/2 kagome lattice in herbertsmithite [ZnCu3(OH)6Cl2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χ(kagome), deduced from the oxygen-17 NMR frequency shift, asymptotes to zero below temperatures of 0.03J, where J ~ 200 kelvin is the copper-copper superexchange interaction. Combined with the magnetic field dependence of χ(kagome) that we observed at low temperatures, these results imply that the kagome Heisenberg antiferromagnet has a spin-liquid ground state with a finite gap. PMID:26542565

  14. Relativistic Quark-Model Results for Baryon Ground and Resonant States

    SciTech Connect

    Plessas, W.; Melde, T.

    2008-10-13

    Latest results from a study of baryon ground and resonant states within relativistic constituent quark models are reported. After recalling some typical spectral properties, the description of ground states, especially with regard to the nucleon and hyperon electromagnetic structures, is addressed. In the following, recent covariant predictions for pion, eta, and kaon partial decay widths of light and strange baryon resonances below 2 GeV are summarized. These results exhibit a characteristic pattern that is distinct from nonrelativistic or relativized decay studies performed so far. Together with a detailed analysis of the spin, flavor, and spatial structures of the wave functions, it supports a new and extended classification scheme of baryon ground and resonant states into SU(3) flavor multiplets.

  15. Ground State Properties of the 1/2 Flux Harper Hamiltonian

    NASA Astrophysics Data System (ADS)

    Kennedy, Colin; Burton, William Cody; Chung, Woo Chang; Ketterle, Wolfgang

    2015-05-01

    The Harper Hamiltonian describes the motion of charged particles in an applied magnetic field - the spectrum of which exhibits the famed Hofstadter's butterfly. Recent advances in driven optical lattices have made great strides in simulating nontrivial Hamiltonians, such as the Harper model, in the time-averaged sense. We report on the realization of the ground state of bosons in the Harper Hamiltonian for 1/2 flux per plaquette utilizing a tilted two-dimensional lattice with laser assisted tunneling. We detail progress in studying various ground state properties of the 1/2 flux Harper Hamiltonian including ground state degeneracies, gauge-dependent observables, effects of micromotion, adiabatic loading schemes, and emergence and decay of coherence. Additionally, we describe prospects for flux rectification using a period-tripled superlattice and generalizations to three dimensions. MIT-Harvard Center for Ultracold Atoms, Research Laboratory of Electronics, Department of Physics, Massachusetts Institute of Technology.

  16. Quantum entangled ground states of two spinor Bose-Einstein condensates

    SciTech Connect

    Xu, Z. F.; Lue, R.; You, L.

    2011-12-15

    We revisit in detail the non-mean-field ground-state phase diagram for a binary mixture of spin-1 Bose-Einstein condensates including quantum fluctuations. The noncommuting terms in the spin-dependent Hamiltonian under the single-spatial-mode approximation make it difficult to obtain exact eigenstates. Utilizing spin-z-component conservation and total spin angular momentum conservation, we numerically derive information on the building blocks and evaluate the von Neumann entropy to quantify the ground states. The mean-field phase boundaries are found to remain largely intact, yet the ground states show fragmented and entangled behaviors within large parameter spaces of interspecies spin-exchange and singlet-pairing interactions.

  17. Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet

    DOE PAGESBeta

    Fu, Mingxuan; Imai, Takahashi; Han, Tian -Heng; Lee, Young S.

    2015-11-06

    Here, the kagome Heisenberg antiferromagnet is a leading candidate in the search for a spin system with a quantum spin-liquid ground state. The nature of its ground state remains a matter of active debate. We conducted oxygen-17 single-crystal nuclear magnetic resonance (NMR) measurements of the spin-1/2 kagome lattice in herbertsmithite [ZnCu3(OH)6Cl2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χkagome, deduced from the oxygen-17 NMR frequency shift, asymptotes to zero below temperatures of 0.03J, where J ~ 200 kelvin is the copper-copper superexchange interaction. Combined with themore » magnetic field dependence of χkagome that we observed at low temperatures, these results imply that the kagome Heisenberg antiferromagnet has a spin-liquid ground state with a finite gap.« less

  18. Essentially exact ground-state calculations by superpositions of nonorthogonal Slater determinants

    NASA Astrophysics Data System (ADS)

    Goto, Hidekazu; Kojo, Masashi; Sasaki, Akira; Hirose, Kikuji

    2013-05-01

    An essentially exact ground-state calculation algorithm for few-electron systems based on superposition of nonorthogonal Slater determinants (SDs) is described, and its convergence properties to ground states are examined. A linear combination of SDs is adopted as many-electron wave functions, and all one-electron wave functions are updated by employing linearly independent multiple correction vectors on the basis of the variational principle. The improvement of the convergence performance to the ground state given by the multi-direction search is shown through comparisons with the conventional steepest descent method. The accuracy and applicability of the proposed scheme are also demonstrated by calculations of the potential energy curves of few-electron molecular systems, compared with the conventional quantum chemistry calculation techniques.

  19. Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet

    NASA Astrophysics Data System (ADS)

    Fu, Mingxuan; Imai, Takashi; Han, Tian-Heng; Lee, Young S.

    2015-11-01

    The kagome Heisenberg antiferromagnet is a leading candidate in the search for a spin system with a quantum spin-liquid ground state. The nature of its ground state remains a matter of active debate. We conducted oxygen-17 single-crystal nuclear magnetic resonance (NMR) measurements of the spin-1/2 kagome lattice in herbertsmithite [ZnCu3(OH)6Cl2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χkagome, deduced from the oxygen-17 NMR frequency shift, asymptotes to zero below temperatures of 0.03J, where J ~ 200 kelvin is the copper-copper superexchange interaction. Combined with the magnetic field dependence of χkagome that we observed at low temperatures, these results imply that the kagome Heisenberg antiferromagnet has a spin-liquid ground state with a finite gap.

  20. Global ab initio ground-state potential energy surface of N4

    NASA Astrophysics Data System (ADS)

    Paukku, Yuliya; Yang, Ke R.; Varga, Zoltan; Truhlar, Donald G.

    2013-07-01

    We present a global ground-state potential energy surface for N4 suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation in N2-N2 collisions. To obtain the surface, complete active space second-order perturbation theory calculations were performed for the ground singlet state with an active space of 12 electrons in 12 orbitals and the maug-cc-pVTZ triple zeta basis set. About 17 000 ab initio data points have been calculated for the N4 system, distributed along nine series of N2 + N2 geometries and three series of N3 + N geometries. The six-dimensional ground-state potential energy surface is fitted using least-squares fits to the many-body component of the electronic energies based on permutationally invariant polynomials in bond order variables.

  1. Ground state of an ultrastrongly coupled qubit-oscillator system with broken inversion symmetry

    NASA Astrophysics Data System (ADS)

    Shen, Li-Tuo; Yang, Zhen-Biao; Wu, Huai-Zhi; Zheng, Shi-Biao

    2016-06-01

    We study the effect of inversion symmetry breaking on properties of the ground state of a qubit-oscillator system within the ultrastrong-coupling regime. We obtain the solution of the ground state through the approximate analytical approach, which, under the near-resonance condition, agrees well with the numerical simulation. We demonstrate that, due to the inversion symmetry breaking, the ground state becomes asymmetric and the qubit-oscillator entanglement entropy strongly depends on the mean dipole moments. Furthermore, we find that the attainable maximum entanglement entropy undergoes a sharp change across a critical point and the minimum value of the Wigner function has a quadratic dependence on the mean dipole moments.

  2. Antibonding hole ground state in InAs quantum dot molecules

    NASA Astrophysics Data System (ADS)

    Planelles, Josep

    2015-01-01

    Using four-band kṡp Hamiltonians, we study how strain and position-dependent effective masses influence hole tunneling in vertically coupled InAs/GaAs quantum dots. Strain reduces the tunneling and hence the critical interdot distance required for the ground state to change from bonding to antibonding. Variable mass has the opposite effect and a rough compensation leaves little affected the critical bonding-to-antibonding ground state crossover. An alternative implementation of the magnetic field in the envelope function Hamiltonian is given which retrieves the experimental denial of possible after growth reversible magnetically induced bonding-to-antibonding ground state transition, predicted by the widely used Luttinger-Kohn Hamiltonian.

  3. Antibonding hole ground state in InAs quantum dot molecules

    SciTech Connect

    Planelles, Josep

    2015-01-22

    Using four-band k⋅p Hamiltonians, we study how strain and position-dependent effective masses influence hole tunneling in vertically coupled InAs/GaAs quantum dots. Strain reduces the tunneling and hence the critical interdot distance required for the ground state to change from bonding to antibonding. Variable mass has the opposite effect and a rough compensation leaves little affected the critical bonding-to-antibonding ground state crossover. An alternative implementation of the magnetic field in the envelope function Hamiltonian is given which retrieves the experimental denial of possible after growth reversible magnetically induced bonding-to-antibonding ground state transition, predicted by the widely used Luttinger-Kohn Hamiltonian.

  4. The ground states of Perovskite nickelates: A dynamical mean field approach

    NASA Astrophysics Data System (ADS)

    Misra, D.; Taraphder, A.

    2014-04-01

    The Perovskite Nickelates (RNiO3,R=Rare-earth) exhibit a strong connection between their structural, transport and magnetic properties. All the members of Nickelate series have orthorhombic structure except LaNiO3 which has a rhombohedral symmetry. While the ground states of most of the Nickelates are antiferromagnetic insulators, and they undergo a sharp, temperature driven metal-Insulator transition, LaNiO3 is a paramagnetic metal irrespective of the temperature and does not undergo any metal-insulator transition. Whether the AFM insulating ground state of Nickelates (R≠La) is due to charge or orbital ordering or both, is a matter of current dispute. Here we give a theoretical account of the metallic property of LaNiO3 and insulating ground states of other Nickelates, using LCAO and static mean field calculation, followed by a dynamical mean field analysis.

  5. Global stability of steady states in the classical Stefan problem for general boundary shapes

    PubMed Central

    Hadžić, Mahir; Shkoller, Steve

    2015-01-01

    The classical one-phase Stefan problem (without surface tension) allows for a continuum of steady-state solutions, given by an arbitrary (but sufficiently smooth) domain together with zero temperature. We prove global-in-time stability of such steady states, assuming a sufficient degree of smoothness on the initial domain, but without any a priori restriction on the convexity properties of the initial shape. This is an extension of our previous result (Hadžić & Shkoller 2014 Commun. Pure Appl. Math. 68, 689–757 (doi:10.1002/cpa.21522)) in which we studied nearly spherical shapes. PMID:26261359

  6. Arsenic in ground water of the United States: occurrence and geochemistry

    USGS Publications Warehouse

    Welch, Alan H.; Westjohn, D.B.; Helsel, Dennis R.; Wanty, Richard B.

    2000-01-01

    Concentrations of naturally occurring arsenic in ground water vary regionally due to a combination of climate and geology. Although slightly less than half of 30,000 arsenic analyses of ground water in the United States were ≤ 1 µg/L, about 10% exceeded 0 µg/L. At a broad regional scale, arsenic concentrations exceeding 10 µg/L appear to be more frequently observed in the western United States than in the eastern half. Arsenic concentrations in ground water of the Appalachian Highlands and the Atlantic plain generally are very low (≤ 1 µg/L). Concentrations are somewhat greater in the Interior Plains and the Rocky Mountain System, investigations of ground water in New England, Michigan, Minnesota, South Dakota, Oklahoma, and Wisconsin within the last decade suggest that arsenic concentrations exceeding 10 µg/L are more widespread and common than previously recognized. Arsenic release from iron oxide appears to be the most common cause of widespread arsenic concentrations exceeding 10 µg/L a ground water. This can occur in response to different geochemical conditions, including release of arsenic to ground water through reaction of iron oxide with either natural or anthropogenic (i.e., petroleum products) organic carbon. Iron oxide also can release arsenic to alkaline ground water, such as that found in some felsic volcanic rocks and alkaline aquifers of the Western United States. Sulfide minerals are both a source and sink for arsenic. Geothermal water and high evaporation rates also are associated with arsenic concentrations ≥ 10g/L in ground and surface water, particularly in the west.

  7. Non-degenerated Ground States and Low-degenerated Excited States in the Antiferromagnetic Ising Model on Triangulations

    NASA Astrophysics Data System (ADS)

    Jiménez, Andrea

    2014-02-01

    We study the unexpected asymptotic behavior of the degeneracy of the first few energy levels in the antiferromagnetic Ising model on triangulations of closed Riemann surfaces. There are strong mathematical and physical reasons to expect that the number of ground states (i.e., degeneracy) of the antiferromagnetic Ising model on the triangulations of a fixed closed Riemann surface is exponential in the number of vertices. In the set of plane triangulations, the degeneracy equals the number of perfect matchings of the geometric duals, and thus it is exponential by a recent result of Chudnovsky and Seymour. From the physics point of view, antiferromagnetic triangulations are geometrically frustrated systems, and in such systems exponential degeneracy is predicted. We present results that contradict these predictions. We prove that for each closed Riemann surface S of positive genus, there are sequences of triangulations of S with exactly one ground state. One possible explanation of this phenomenon is that exponential degeneracy would be found in the excited states with energy close to the ground state energy. However, as our second result, we show the existence of a sequence of triangulations of a closed Riemann surface of genus 10 with exactly one ground state such that the degeneracy of each of the 1st, 2nd, 3rd and 4th excited energy levels belongs to O( n), O( n 2), O( n 3) and O( n 4), respectively.

  8. Cold collisions of ground-state calcium atoms in a laser field: A theoretical study

    SciTech Connect

    Bussery-Honvault, Beatrice; Launay, Jean-Michel; Moszynski, Robert

    2003-09-01

    State-of-the-art ab initio techniques have been applied to compute the potential-energy curves for the ground X {sup 1}{sigma}{sub g}{sup +} and excited {sup 1}{pi}{sub g}(4s3d) states of the calcium dimer in the Born-Oppenheimer approximation. The weakly bound ground state was calculated by symmetry-adapted perturbation theory, while the strongly bound excited state was computed using a combination of the linear-response theory within the coupled-cluster singles and doubles framework for the core-valence electronic correlation and of the full configuration interaction for the valence-valence correlation. The ground-state potential has been corrected by considering the relativistic terms resulting from the first-order many-electron Breit theory, and the retardation corrections. The magnetic electronic transition dipole moment governing the {sup 1}{pi}{sub g}(leftarrow){sup 1}{sigma}{sub g}{sup +} transitions has been obtained as the first residue of the polarization propagator computed with the coupled-cluster method restricted to single and double excitations. The computed energies and transition moments have been analytically fitted and used in the dynamical calculations of the rovibrational energy levels, ground-state scattering length, photoassociation intensities at ultralow temperatures, and spontaneous emission coefficients from the {sup 1}{pi}{sub g}(4s3d) to the X {sup 1}{sigma}{sub g}{sup +} state. The spectroscopic constants of the theoretical ground-state potential are in a good agreement with the experimental values derived from the Fourier-transform spectra [O. Allard et al., Eur. Phys. J. D (to be published)]. The theoretical s-wave scattering length for the ground state is a=44 bohrs, suggesting that it should be possible to obtain a stable Bose-Einstein condensate of calcium atoms. Finally, the computed photoassociation intensities and spontaneous emission coefficients suggest that it should be possible to obtain cold calcium molecules by

  9. Creating Fermionic Ground State Molecules of 23Na40K with Strong Dipolar Interactions

    NASA Astrophysics Data System (ADS)

    Park, Jee; Wu, Cheng-Hsun; Schloss, Jennifer; Will, Sebastian; Zwierlein, Martin

    2013-05-01

    In our experiment, we work towards creating fermionic ground state molecules of 23Na40K with strong dipolar interactions. These molecules will be chemically stable in the rovibrational ground state, and will carry a large induced dipole moment of 2.72 Debye. Building up on our previous work, we have done photoassociation spectroscopy on the 23Na-40K mixture in order to understand the molecular excited state potentials and identify possible intermediate states for efficient STIRAP transfer of Feshbach molecules down to the absolute rovibrational ground state. In addition, our recent effort in doing two-photon spectroscopy to locate the absolute rovibrational ground state will be presented. Our work paves the way towards creating stable dipolar quantum gases, which will open up new avenues to quantum many-body phases with intriguing properties such as supersolidity and topological phases. This work was supported by the NSF, AFOSR-MURI and -PECASE, ARO-MURI, ONR YIP, DARPA YFA, a grant from the Army Research Office with funding from the DARPA OLE program and the David and Lucille Packard Foundation.

  10. Preparing ground states of quantum many-body systems on a quantum computer

    NASA Astrophysics Data System (ADS)

    Poulin, David

    2009-03-01

    The simulation of quantum many-body systems is a notoriously hard problem in condensed matter physics, but it could easily be handled by a quantum computer [4,1]. There is however one catch: while a quantum computer can naturally implement the dynamics of a quantum system --- i.e. solve Schr"odinger's equation --- there was until now no general method to initialize the computer in a low-energy state of the simulated system. We present a quantum algorithm [5] that can prepare the ground state and thermal states of a quantum many-body system in a time proportional to the square-root of its Hilbert space dimension. This is the same scaling as required by the best known algorithm to prepare the ground state of a classical many-body system on a quantum computer [3,2]. This provides strong evidence that for a quantum computer, preparing the ground state of a quantum system is in the worst case no more difficult than preparing the ground state of a classical system. 1 D. Aharonov and A. Ta-Shma, Adiabatic quantum state generation and statistical zero knowledge, Proc. 35th Annual ACM Symp. on Theo. Comp., (2003), p. 20. F. Barahona, On the computational complexity of ising spin glass models, J. Phys. A. Math. Gen., 15 (1982), p. 3241. C. H. Bennett, E. Bernstein, G. Brassard, and U. Vazirani, Strengths and weaknessess of quantum computing, SIAM J. Comput., 26 (1997), pp. 1510--1523, quant-ph/9701001. S. Lloyd, Universal quantum simulators, Science, 273 (1996), pp. 1073--1078. D. Poulin and P. Wocjan, Preparing ground states of quantum many-body systems on a quantum computer, 2008, arXiv:0809.2705.

  11. Ground states of spin-2 condensates in an external magnetic field

    SciTech Connect

    Zheng, G.-P.; Tong, Y.-G.; Wang, F.-L.

    2010-06-15

    The possible ground states of spin-2 Bose-Einstein condensates in an external magnetic field are obtained analytically and classified systematically according to the population of the condensed atoms at the hyperfine sublevels. It is shown that the atoms can populate simultaneously at four hyperfine sublevels in a weak magnetic field with only the linear Zeeman energy, in contrast to that in a stronger magnetic field with the quadratic Zeeman energy, where condensed atoms can at most populate at three hyperfine sublevels in the ground states. Any spin configuration we obtained will give a closed subspace in the order parameter space of the condensates.

  12. Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

    NASA Astrophysics Data System (ADS)

    Borges, L. H. C.; Barone, F. A.

    2016-02-01

    Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schrödinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector.

  13. The Nature of the Ground States of Cobalt(II) and Nickel(II) Carboxypeptidase A

    PubMed Central

    Rosenberg, Robert C.; Root, Charles A.; Wang, Run-Han; Cerdonio, Massimo; Gray, Harry B.

    1973-01-01

    The magnetic susceptibilities of cobalt(II) and nickel(II) derivaties of carboxypeptidase A (CPA) follow the Curie law over a wide temperature range. The observed magnetic moments of Co(II)CPA and Ni(II)CPA are 4.77 ± 0.15 and 2.53 ± 0.10 Bohr Magnetons, respectively. The magnetic and spectral properties of Ni(II)CPA are consistent only with an octahedral ground-state geometry, whereas Co(II)CPA has a probable five-coordinate structure. The results establish ordinary metal-ion ground states for two metallocarboxypeptidase A derivatives which exhibit full peptidase activity. PMID:4509646

  14. Ground-state configuration of neutron-rich Aluminum isotopes through Coulomb Breakup

    NASA Astrophysics Data System (ADS)

    Chakraborty, S.; Datta Pramanik, U.; Aumann, T.; Beceiro, S.; Boretzky, K.; Caesar, C.; Carlson, B. V.; Catford, W. N.; Chatterjee, S.; Chartier, M.; Cortina-Gil, D.; De Angelis, G.; Gonzalez-Diaz, D.; Emling, H.; Diaz Fernandez, P.; Fraile, L. M.; Ershova, O.; Geissel, H.; Heil, M.; Jonson, B.; Kelic, A.; Johansson, H.; Kruecken, R.; Kroll, T.; Kurcewicz, J.; Langer, C.; Le Bleis, T.; Leifels, Y.; Munzenberg, G.; Marganiec, J.; Nociforo, C.; Najafi, A.; Panin, V.; Paschalis, S.; Pietri, S.; Plag, R.; Rahaman, A.; Reifarth, R.; Ricciardi, V.; Rossi, D.; Ray, J.; Simon, H.; Scheidenberger, C.; Typel, S.; Taylor, J.; Togano, Y.; Volkov, V.; Weick, H.; Wagner, A.; Wamers, F.; Weigand, M.; Winfield, J. S.; Yakorev, D.; Zoric, M.

    2014-03-01

    Neutron-rich 34,35Al isotopes have been studied through Coulomb excitation using LAND-FRS setup at GSI, Darmstadt. The method of invariant mass analysis has been used to reconstruct the excitation energy of the nucleus prior to decay. Comparison of experimental CD cross-section with direct breakup model calculation with neutron in p3/2 orbital favours 34Al(g.s)⊗νp3/2 as ground state configuration of 35Al. But ground state configuration of 34Al is complicated as evident from γ-ray spectra of 33Al after Coulomb breakup of 34Al.

  15. Model valence-fluctuation systems: variational ground states and magnetic responses

    SciTech Connect

    Brandow, B.H.

    1980-04-01

    Variational ground-state wavefunctions are presented and optimized for two model valence-fluctuation systems, based on Anderson lattice Hamiltonians in the U ..-->.. infinity limit. Although these wavefunctions are approximate, they are treated in an essentially exact manner. The )f/sup 0/, f/sup 1/; n = 1) system has an intuitively reasonable ground-state susceptibility, while the )f/sup 1/, f/sup 2/; n = 2) system is found to exhibit an insulating gap. Due to their different crystal symmetries, this gap should be realized in SmB/sub 6/ but not in SmS.

  16. Ground-state properties of third-row elements with nonlocal density functionals

    SciTech Connect

    Bagno, P.; Jepsen, O.; Gunnarsson, O.

    1989-07-15

    The cohesive energy, the lattice parameter, and the bulk modulus of third-row elements are calculated using the Langreth-Mehl-Hu (LMH), the Perdew-Wang (PW), and the gradient expansion functionals. The PW functional is found to give somewhat better results than the LMH functional and both are found to typically remove half the errors in the local-spin-density (LSD) approximation, while the gradient expansion gives worse results than the local-density approximation. For Fe both the LMH and PW functionals correctly predict a ferromagnetic bcc ground state, while the LSD approximation and the gradient expansion predict a nonmagnetic fcc ground state.

  17. Ground State of Magnetic Dipoles on a Two-Dimensional Lattice: Structural Phases in Complex Plasmas

    SciTech Connect

    Feldmann, J. D.; Kalman, G. J.; Hartmann, P.; Rosenberg, M.

    2008-02-29

    We study analytically and by molecular dynamics simulations the ground state configuration of a system of magnetic dipoles fixed on a two-dimensional lattice. We find different phases, in close agreement with previous results. Building on this result and on the minimum energy requirement we determine the equilibrium lattice configuration, the magnetic order (ferromagnetic versus antiferromagnetic), and the magnetic polarization direction of a system of charged mesoscopic particles with magnetic dipole moments, in the domain where the strong electrostatic coupling leads to a crystalline ground state. Orders of magnitudes of the parameters of the system relevant to possible future dusty plasma experiments are discussed.

  18. Ground-state and finite-temperature energetics and topologies of germanium microclusters

    SciTech Connect

    Antonio, G.A.; Feuston, B.P.; Kalia, R.K.; Vashishta, P.

    1988-06-15

    We have investigated the ground-state and finite-temperature properties of Ge microclusters (N = 2 to 14) using molecular dynamics (MD) simulation along with the method of steepest-descent quench (SDQ). The interaction potential adopted is the three-body Stillinger--Weber potential as modified by Ding and Andersen for amorphous Ge. Our results indicate that the experimentally observed greater stability of certain cluster sizes can be explained by the topology and energetics of the clusters at finite temperature rather than by the binding energies of the ground-state structures.

  19. Simulation of the Hydrogen Ground State in Stochastic Electrodynamics-2: Inclusion of Relativistic Corrections

    NASA Astrophysics Data System (ADS)

    Nieuwenhuizen, Theodorus M.; Liska, Matthew T. P.

    2015-10-01

    In a recent paper the authors studied numerically the hydrogen ground state in stochastic electrodynamics (SED) within the the non-relativistic approximation. In quantum theory the leading non-relativistic corrections to the ground state energy dominate the Lamb shift related to the photon cloud that should cause the quantum-like behaviour of SED. The present work takes these corrections into account in the numerical modelling. It is found that they have little effect; the self-ionisation that occurs without them remains present. It is speculated that the point-charge approximation for the electron is the cause of the failure.

  20. High-fidelity rapid ground-state loading of an ultracold gas into an optical lattice.

    PubMed

    Masuda, Shumpei; Nakamura, Katsuhiro; del Campo, Adolfo

    2014-08-01

    A protocol is proposed for the rapid coherent loading of a Bose-Einstein condensate into the ground state of an optical lattice, without residual excitation associated with the breakdown of adiabaticity. The driving potential required to assist the rapid loading is derived using the fast-forward technique, and generates the ground state in any desired short time. We propose an experimentally feasible loading scheme using a bichromatic lattice potential, which approximates the fast-forward driving potential with high fidelity. PMID:25148323

  1. Magnetization ground states and phase diagrams for a nanosized Co hollow sphere: An onion-type magnetization state

    NASA Astrophysics Data System (ADS)

    Kong, Desheng; Wang, Siming; Chen, Chinping

    2008-07-01

    The magnetization ground states (MGSs) for a nanosized Co hollow sphere, with the outer radius, R <50 nm, have been studied numerically by micromagnetic simulation using object oriented micromagnetic framework (OOMMF). In addition to the originally known single domain and vortex-curling states, a three dimensional "onion" state with a corresponding analytical expression is proposed and confirmed as one of the ground states. Two phase diagrams, one for a single crystalline and the other for a polycrystalline nanosphere, are obtained for the three MGSs. The result reveals that the magnetic anisotropy has a significant effect on the phase line in the diagrams. The finite temperature effect and the blocking properties of the nanosphere for the magnetization reversal are discussed.

  2. Ground-state angular momentum, spectral asymmetry, and topology in chiral superfluids and superconductors

    NASA Astrophysics Data System (ADS)

    Ojanen, Teemu

    2016-05-01

    Recently, it was discovered that the ground-state orbital angular momentum in two-dimensional chiral superfluids with pairing symmetry (px+i py) ν depends on the winding number ν in a striking manner. The ground-state value for the ν =1 case is Lz=ℏ N /2 as expected by counting the Cooper pairs, while a dramatic cancellation takes place for ν >1 . The origin of the cancellation is associated with the topological edge states that appear in a finite geometry and give rise to a spectral asymmetry. Here, we study the reduction of orbital angular momentum for different potential profiles and pairing strengths, showing that the result Lz=ℏ N /2 is robust for ν =1 under all studied circumstances. We study how angular momentum depends on the gap size Δ /EF and obtain the result Lz=ℏ/ν 2 N (1 -μ/EF) for ν =2 ,3 . Thus, the gap dependence of Lz for ν <4 enters at most through the chemical potential while ν ≥4 is qualitatively different. In addition, we generalize the spectral asymmetry arguments to total angular momentum in the ground state of triplet superfluids where due to a spin-orbit coupling Lz is not a good quantum number. We find that the ground-state total angular momentum also behaves very differently depending on total angular momentum of the Cooper pairs.

  3. A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates

    SciTech Connect

    Wang, Hanquan

    2014-10-01

    In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can be computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method.

  4. Pictures of unbound molecular electrons, including shape-resonant states. Eigenchannel contour maps

    SciTech Connect

    Loomba, Dinesh; Wallace, Scott; Dill, Dan; Dehmer, Joseph L.

    1981-01-01

    Eigenchannel wave functions are identified as the continuum analog of discrete-state eigenfunctions familiar from molecular structure calculations. As examples, eigenchannel wave functions are plotted for shape-resonant and nonresonant eigenchannels of N₂. Both types of functions show characteristic nodal patterns. The penetration over a narrow energy range of the resonantwave function through a potential barrier into the molecular interior, the key feature of shape-resonant states, is clearly seen for the example of the N₂ f-wave-dominated σu shape resonance at 1.2 Ry electron kinetic energy. This visualization of continuum electronic amplitudes should prove to be a significant new tool in the study of continuum electron–molecule dynamics.

  5. Ground state structures and excited state dynamics of pyrrole-water complexes: Ab initio excited state molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Kumar, Anupriya; Kołaski, Maciej; Kim, Kwang S.

    2008-01-01

    Structures of the ground state pyrrole-(H2O)n clusters are investigated using ab initio calculations. The charge-transfer driven femtosecond scale dynamics are studied with excited state ab initio molecular dynamics simulations employing the complete-active-space self-consistent-field method for pyrrole-(H2O)n clusters. Upon the excitation of these clusters, the charge density is located over the farthest water molecule which is repelled by the depleted π-electron cloud of pyrrole ring, resulting in a highly polarized complex. For pyrrole-(H2O), the charge transfer is maximized (up to 0.34a.u.) around ˜100fs and then oscillates. For pyrrole-(H2O)2, the initial charge transfer occurs through the space between the pyrrole and the π H-bonded water molecule and then the charge transfer takes place from this water molecule to the σ H-bonded water molecule. The total charge transfer from the pyrrole to the water molecules is maximized (up to 0.53a.u.) around ˜100fs.

  6. Production of rovibronic ground-state 85 Rb133 Cs molecules via photoassociation to Ω = 1 states

    NASA Astrophysics Data System (ADS)

    Shimasaki, Toshihiko; Kim, Jin Tae; Demille, David

    2016-05-01

    We have extensively investigated short-range photoassociation (PA) to the (2) 3Π1 , (2) 1Π1 , and (3) 3Σ1+ states of 85 Rb133 Cs in the region between 11650 cm-1 and 12100 cm-1, where strong mixing between triplet and singlet states is expected. In contrast to the previously observed two-photon cascade decay from the (2) 3Π0 states, here we observe that the PA excited states can directly decay to the rovibronic ground state X1Σ+(v = 0 , J = 0) by a one-photon transition. We have observed rich hyperfine structures of the PA states, which were unresolved in previous cold beam experiments in the same region. Based on the analysis of vibrational and rotational branching ratios in the decay process to the X1Σ+ state, we will discuss the molecule production rate in comparison with that for PA to the (2) 3Π0 states. We will also report on a similar study of PA to the B1 Π and (2) 3Σ1+ states of 85 Rb133 Cs, which also produce the rovibronic ground state X1Σ+(v = 0 , J = 0) via direct one-photon decay.

  7. Computer program simplifies transient and steady-state temperature prediction for complex body shapes

    NASA Technical Reports Server (NTRS)

    Giebler, K. N.

    1966-01-01

    Computer program evaluates heat transfer modes and calculates either the transient or steady-state temperature distributions throughout an object of complex shape when heat sources are applied to specified points on the object. It uses an electrothermal model to simulate the conductance, heat capacity, and temperature potential of the object.

  8. Rayleigh approximation to ground state of the Bose and Coulomb glasses

    SciTech Connect

    Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.

    2015-01-16

    Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Our findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties.

  9. Bibliography on ground water in glacial-aquifer systems in the Northeastern United States

    USGS Publications Warehouse

    Wiltshire, Denise A.; Lyford, Forest P.; Cohen, A.J.

    1986-01-01

    The U.S. Geological Survey established the Regional Aquifer-System Analysis (RASA) program to evaluate major interconnected aquifers or groups of aquifers that share similar characteristics within a region. One of the objectives of the Northeastern Glacial RASA is to provide information on the occurrence and quality of ground water in glacial deposits in ten States: Maine, New Hampshire, Vermont, Massachusetts, Rhode Island, Connecticut, New York, Ohio, Pennsylvania, and New Jersey. To help meet the objectives of the RASA program, an automated bibliographic data base was developed. The data base contains references to ground-water resources of glacial-aquifer systems in the ten States listed above. This bibliography contains more than 700 ground-water related references that date from 1839 through 1984. The bibliography lists books, journal articles, conference proceedings, government and other technical reports, theses, and maps. Unpublished manuscripts, publications in press, newspaper articles, and book reviews are omitted from the bibliography.

  10. Rayleigh approximation to ground state of the Bose and Coulomb glasses

    PubMed Central

    Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.

    2015-01-01

    Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Our findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties. PMID:25592417

  11. Rayleigh approximation to ground state of the Bose and Coulomb glasses

    DOE PAGESBeta

    Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.

    2015-01-16

    Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Ourmore » findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties.« less

  12. The ground state of a spin-1 anti-ferromagnetic atomic condensate for Heisenberg limited metrology

    NASA Astrophysics Data System (ADS)

    Wu, Ling-Na; You, Li

    2016-05-01

    The ground state of a spin-1 atomic condensate with anti-ferromagnetic interaction can be applied to quantum metrology approaching the Heisenberg limit. Unlike a ferromagnetic condensate state where individual atomic spins are aligned in the same direction, atoms in an anti-ferromagnetic ground state condensate exist as spin singlet pairs, whose inherent correlation promises metrological precisions beyond the standard quantum limit (SQL) for uncorrelated atoms. The degree of improvement over the SQL is measured by quantum Fisher information (QFI), whose dependence on the ratio of linear Zeeman shift p to spin-dependent atomic interaction c is studied. At a typical value of p = 0 . 4 c corresponding to a magnetic field of 28 . 6 μ G with c = h × 50 Hz (for 23 Na atom condensate in the F = 1 state at a typical density of ~1014cm-3), the scaled QFI can reach ~ 0 . 48 N , which is close to the limits of N for NooN state, or 0 . 5 N for twin-Fock state. We hope our work will stimulate experimental efforts towards reaching the anti-ferromagnetic condensate ground state at extremely low magnetic fields.

  13. Zero-point fluctuations in the ground state of a mesoscopic normal ring

    NASA Astrophysics Data System (ADS)

    Cedraschi, Pascal; Büttiker, Markus

    2001-04-01

    We investigate the persistent current of a ring with an in-line quantum dot capacitively coupled to an external circuit. Of special interest is the magnitude of the persistent current as a function of the external impedance in the zero-temperature limit when the only fluctuations in the external circuit are zero-point fluctuations. These are time-dependent fluctuations that polarize the ring-dot structure and we discuss in detail the contribution of displacement currents to the persistent current. We have earlier discussed an exact solution for the persistent current and its fluctuations based on a Bethe ansatz. In this work, we emphasize a physically more intuitive approach using a Langevin description of the external circuit. This approach is limited to weak coupling between the ring and the external circuit. We show that the zero-temperature persistent current obtained in this approach is consistent with the persistent current calculated from the Bethe ansatz solution. In the absence of coupling our system is a two level system consisting of the ground state and the first excited state. In the presence of coupling we investigate the projection of the actual state on the ground state and the first exited state of the decoupled ring. With each of these projections we can associate a phase-diffusion time. In the zero-temperature limit we find that the phase-diffusion time of the excited state projection saturates, whereas the phase-diffusion time of the ground state projection diverges.

  14. Resetting transcription factor control circuitry toward ground-state pluripotency in human.

    PubMed

    Takashima, Yasuhiro; Guo, Ge; Loos, Remco; Nichols, Jennifer; Ficz, Gabriella; Krueger, Felix; Oxley, David; Santos, Fatima; Clarke, James; Mansfield, William; Reik, Wolf; Bertone, Paul; Smith, Austin

    2014-09-11

    Current human pluripotent stem cells lack the transcription factor circuitry that governs the ground state of mouse embryonic stem cells (ESC). Here, we report that short-term expression of two components, NANOG and KLF2, is sufficient to ignite other elements of the network and reset the human pluripotent state. Inhibition of ERK and protein kinase C sustains a transgene-independent rewired state. Reset cells self-renew continuously without ERK signaling, are phenotypically stable, and are karyotypically intact. They differentiate in vitro and form teratomas in vivo. Metabolism is reprogrammed with activation of mitochondrial respiration as in ESC. DNA methylation is dramatically reduced and transcriptome state is globally realigned across multiple cell lines. Depletion of ground-state transcription factors, TFCP2L1 or KLF4, has marginal impact on conventional human pluripotent stem cells but collapses the reset state. These findings demonstrate feasibility of installing and propagating functional control circuitry for ground-state pluripotency in human cells. PMID:25215486

  15. Structure of Ground state Wave Functions for the Fractional Quantum Hall Effect: A Variational Approach

    NASA Astrophysics Data System (ADS)

    Mukherjee, Sutirtha; Mandal, Sudhansu

    The internal structure and topology of the ground states for fractional quantum Hall effect (FQHE) are determined by the relative angular momenta between all the possible pairs of electrons. Laughlin wave function is the only known microscopic wave function for which these relative angular momenta are homogeneous (same) for any pair of electrons and depend solely on the filling factor. Without invoking any microscopic theory, considering only the relationship between number of flux quanta and particles in spherical geometry, and allowing the possibility of inhomogeneous (different) relative angular momenta between any two electrons, we develop a general method for determining a closed-form ground state wave function for any incompressible FQHE state. Our procedure provides variationally obtained very accurate wave functions, yet having simpler structure compared to any other known complex microscopic wave functions for the FQHE states. This method, thus, has potential in predicting a very accurate ground state wave function for the puzzling states such as the state at filling fraction 5/2. We acknowledge support from Department of Science and Technology, India.

  16. Approaching the ground states of the random maximum two-satisfiability problem by a greedy single-spin flipping process

    NASA Astrophysics Data System (ADS)

    Ma, Hui; Zhou, Haijun

    2011-05-01

    In this brief report we explore the energy landscapes of two spin glass models using a greedy single-spin flipping process, Gmax. The ground-state energy density of the random maximum two-satisfiability problem is efficiently approached by Gmax. The achieved energy density e(t) decreases with the evolution time t as e(t)-e(∞)=h(log10t)-z with a small prefactor h and a scaling coefficient z>1, indicating an energy landscape with deep and rugged funnel-shape regions. For the ±J Viana-Bray spin glass model, however, the greedy single-spin dynamics quickly gets trapped to a local minimal region of the energy landscape.

  17. Efficient numerical methods for computing ground states of spin-1 Bose–Einstein condensates based on their characterizations

    SciTech Connect

    Bao, Weizhu; Chern, I-Liang; Zhang, Yanzhi

    2013-11-15

    In this paper, we propose efficient numerical methods for computing ground states of spin-1 Bose–Einstein condensates (BECs) with/without the Ioffe–Pritchard magnetic field B(x). When B(x)≠0, a numerical method is introduced to compute the ground states and it is also applied to study properties of ground states. Numerical results suggest that the densities of m{sub F}=±1 components in ground states are identical for any nonzero B(x). In particular, if B(x)≡B≠0 is a constant, the ground states satisfy the single-mode approximation. When B(x)≡0, efficient and simpler numerical methods are presented to solve the ground states of spin-1 BECs based on their ferromagnetic/antiferromagnetic characterizations. Numerical simulations show that our methods are more efficient than those in the literature. In addition, some conjectures are made from our numerical observations.

  18. Generalized isotropic Lipkin-Meshkov-Glick models: ground state entanglement and quantum entropies

    NASA Astrophysics Data System (ADS)

    Carrasco, José A.; Finkel, Federico; González-López, Artemio; Rodríguez, Miguel A.; Tempesta, Piergiulio

    2016-03-01

    We introduce a new class of generalized isotropic Lipkin-Meshkov-Glick models with \\text{su}(m+1) spin and long-range non-constant interactions, whose non-degenerate ground state is a Dicke state of \\text{su}(m+1) type. We evaluate in closed form the reduced density matrix of a block of L spins when the whole system is in its ground state, and study the corresponding von Neumann and Rényi entanglement entropies in the thermodynamic limit. We show that both of these entropies scale as alog L when L tends to infinity, where the coefficient a is equal to (m  -  k)/2 in the ground state phase with k vanishing \\text{su}(m+1) magnon densities. In particular, our results show that none of these generalized Lipkin-Meshkov-Glick models are critical, since when L\\to ∞ their Rényi entropy R q becomes independent of the parameter q. We have also computed the Tsallis entanglement entropy of the ground state of these generalized \\text{su}(m+1) Lipkin-Meshkov-Glick models, finding that it can be made extensive by an appropriate choice of its parameter only when m-k≥slant 3 . Finally, in the \\text{su}(3) case we construct in detail the phase diagram of the ground state in parameter space, showing that it is determined in a simple way by the weights of the fundamental representation of \\text{su}(3) . This is also true in the \\text{su}(m+1) case; for instance, we prove that the region for which all the magnon densities are non-vanishing is an (m  +  1)-simplex in {{{R}}m} whose vertices are the weights of the fundamental representation of \\text{su}(m+1) .

  19. The laboratory millimeter-wave spectrum of methyl formate in its ground torsional E state

    NASA Technical Reports Server (NTRS)

    Plummer, G. M.; Herbst, E.; De Lucia, F. C.; Blake, G. A.

    1986-01-01

    Over 250 rotational transitions of the internal rotor methyl formate (HCOOCH3) in its ground v(t) = 0 degenerate (E) torsional substate have been measured in the millimeter-wave spectral region. These data and a number of E-state lines identified by several other workers have been analyzed using an extension of the classical principal-axis method in the high barrier limit. The resulting rotational constants allow accurate prediction of the v(t) = 0 E substate methyl formate spectrum below 300 GHz between states with angular momentum J not greater than 30 and rotational energy of not more than 350/cm. The calculated transition frequencies for the E state, when combined with the results of the previous analysis of the ground-symmetric, nondegenerate state, account for over 200 of the emission lines observed toward Orion in a recent survey of the 215-265 GHz band.

  20. Electron-impact excitation and ionization cross sections for ground state and excited helium atoms

    SciTech Connect

    Ralchenko, Yu. Janev, R.K.; Kato, T.; Fursa, D.V.; Bray, I.; Heer, F.J. de

    2008-07-15

    Comprehensive and critically assessed cross sections for the electron-impact excitation and ionization of ground state and excited helium atoms are presented. All states (atomic terms) with n{<=}4 are treated individually, while the states with n{>=}5 are considered degenerate. For the processes involving transitions to and from n{>=}5 levels, suitable cross section scaling relations are presented. For a large number of transitions, from both ground and excited states, convergent close coupling calculations were performed to achieve a high accuracy of the data. The evaluated/recommended cross section data are presented by analytic fit functions, which preserve the correct asymptotic behavior of the cross sections. The cross sections are also displayed in graphical form.

  1. Role of the helium ground state in (e,3e) processes

    SciTech Connect

    Ancarani, L.U.; Montagnese, T.; Dal Cappello, C.

    2004-07-01

    Absolute (e,3e) measurements on helium, at high incident energy, have been recently reproduced by a calculation in the first Born approximation [Phys. Rev. Lett. 91, 73201 (2003)]. The theoretical model is based on the product of three Coulomb waves for the final state and the use of Pluvinage wave function for the initial helium ground state. The authors suggest that the good agreement obtained is strongly related to the quality of the initial state, in particular to the fact that it is diagonal in all Coulomb interactions. In this paper, we show that this conclusion is not correct. We construct three other helium ground states to demonstrate that diagonalizing the Hamiltonian is not the deciding factor in obtaining agreement with the absolute experimental data.

  2. Quantum ground state of self-organized atomic crystals in optical resonators

    SciTech Connect

    Fernandez-Vidal, Sonia; De Chiara, Gabriele; Larson, Jonas; Morigi, Giovanna

    2010-04-15

    Cold atoms, driven by a laser and simultaneously coupled to the quantum field of an optical resonator, may self-organize in periodic structures. These structures are supported by the optical lattice, which emerges from the laser light they scatter into the cavity mode and form when the laser intensity exceeds a threshold value. We study theoretically the quantum ground state of these structures above the pump threshold of self-organization by mapping the atomic dynamics of the self-organized crystal to a Bose-Hubbard model. We find that the quantum ground state of the self-organized structure can be the one of a Mott insulator, depending on the pump strength of the driving laser. For very large pump strengths, where the intracavity-field intensity is maximum and one would expect a Mott-insulator state, we find intervals of parameters where the phase is compressible. These states could be realized in existing experimental setups.

  3. The ground state of the Pomeron and its decays to light mesons and photons

    NASA Astrophysics Data System (ADS)

    Godizov, A. A.

    2016-07-01

    The problem of the timelike Pomeron coupling to light mesons and photons is considered in light of available data on high-energy meson-proton scattering. A possible correspondence of the f_2(1950) resonance to the ground state of the Pomeron is argued.

  4. Transient state of polarization in optical ground wire caused by lightning and impulse current

    NASA Astrophysics Data System (ADS)

    Kurono, Masahiro; Isawa, K.; Kuribara, Masayuki

    1996-08-01

    This paper describes a transient state of polarization in an optical ground wire (OPGW) theoretically, experimentally and with field measurements in lightning conditions, which is considered one of the fastest phenomena of polarization fluctuations in the natural environment. These characteristics will be required for optical coherent communication for utilities in future and for application to sensing of lightning with OPGW.

  5. Frozen Spin Ice Ground States in the Pyrochlore Magnet Tb2Ti2O7

    NASA Astrophysics Data System (ADS)

    Fritsch, Katharina

    2015-03-01

    The ground state nature of the candidate spin liquid pyrochlore magnet Tb2Ti2O7 has remained a puzzle for over 15 years. Despite theoretical expectations of magnetic order below ~ 1 K based on classical Ising-like Tb 3 + spins, early μSR and neutron scattering experiments showed no long range order down to 50 mK. This motivated two theoretical scenarios to account for the apparently disordered ground state: a quantum spin ice scenario in which the classical spin order is suppressed by virtual crystal field excitations that renormalize the antiferromagnetic exchange, or a scenario arising from a yet to be observed structural distortion creating a non-magnetic singlet ground state. I will discuss our time-of-flight neutron scattering measurements on Tb2Ti2O7 that reveal a glassy spin ice ground state, characterized by frozen antiferromagnetic short range order and the formation of a ~ 0.08 meV energy gap in its spin excitation spectrum at the (1/2,1/2,1/2) quasi-ordering wave vectors. A new H - T phase diagram for Tb2Ti2O7 in [110] magnetic field will be presented. I will further discuss recent experiments on slightly off-stoichiometric Tb2+xTi2-xO7-y samples, which also display the same gapped spin ice correlations at (1/2,1/2,1/2) wave vectors.

  6. A simple volcano potential with an analytic, zero-energy, ground state

    NASA Astrophysics Data System (ADS)

    Nieto, M. M.

    2000-08-01

    We describe a simple volcano potential, which is supersymmetric and has an analytic, zero-energy, ground state. (The KK modes are also analytic.) It is an interior harmonic oscillator potential properly matched to an exterior angular momentum-like tail. Special cases are given to elucidate the physics, which may be intuitively useful in studies of higher-dimensional gravity.

  7. On Zero-Mass Ground States in Super-Membrane Matrix Models

    NASA Astrophysics Data System (ADS)

    Fröhlich, Jürg; Hoppe, Jens

    We recall a formulation of super-membrane theory in terms of certain matrix models. These models are known to have a mass spectrum given by the positive half-axis. We show that, for the simplest such matrix model, a normalizable zero-mass ground state does _n_o_t exist.

  8. Meta-Atom Behavior in Clusters Revealing Large Spin Ground States.

    PubMed

    Hernández Sánchez, Raúl; Betley, Theodore A

    2015-11-01

    The field of single molecule magnetism remains predicated on super- and double exchange mechanisms to engender large spin ground states. An alternative approach to achieving high-spin architectures involves synthesizing weak-field clusters featuring close M-M interactions to produce a single valence orbital manifold. Population of this orbital manifold in accordance with Hund's rules could potentially yield thermally persistent high-spin ground states under which the valence electrons remain coupled. We now demonstrate this effect with a reduced hexanuclear iron cluster that achieves an S = 19/2 (χ(M)T ≈ 53 cm(3) K/mol) ground state that persists to 300 K, representing the largest spin ground state persistent to room temperature reported to date. The reduced cluster displays single molecule magnet behavior manifest in both variable-temperature zero-field (57)Fe Mössbauer and magnetometry with a spin reversal barrier of 42.5(8) cm(-1) and a magnetic blocking temperature of 2.9 K (0.059 K/min). PMID:26440452

  9. Lossless anomalous dispersion and an inversionless gain doublet via dressed interacting ground states

    SciTech Connect

    Weatherall, James Owen; Search, Christopher P.

    2010-02-15

    Transparent media exhibiting anomalous dispersion have been of considerable interest since Wang, Kuzmich, and Dogariu [Nature 406, 277 (2000)] first observed light propagate with superluminal and negative group velocities without absorption. Here, we propose an atomic model exhibiting these properties, based on a generalization of amplification without inversion in a five-level dressed interacting ground-state system. The system consists of a {Lambda} atom prepared as in standard electromagnetically induced transparency (EIT), with two additional metastable ground states coupled to the {Lambda} atom ground states by two rf-microwave fields. We consider two configurations by which population is incoherently pumped into the ground states of the atom. Under appropriate circumstances, we predict a pair of new gain lines with tunable width, separation, and height. Between these lines, absorption vanishes but dispersion is large and anomalous. The system described here is a significant improvement over other proposals in the anomalous dispersion literature in that it permits additional coherent control over the spectral properties of the anomalous region, including a possible 10{sup 4}-fold increase over the group delay observed by Wang, Kuzmich, and Dogariu.

  10. Magnetic ground state of an individual Fe(2+) ion in strained semiconductor nanostructure.

    PubMed

    Smoleński, T; Kazimierczuk, T; Kobak, J; Goryca, M; Golnik, A; Kossacki, P; Pacuski, W

    2016-01-01

    Single impurities with nonzero spin and multiple ground states offer a degree of freedom that can be utilized to store the quantum information. However, Fe(2+) dopant is known for having a single nondegenerate ground state in the bulk host semiconductors and thus is of little use for spintronic applications. Here we show that the well-established picture of Fe(2+) spin configuration can be modified by subjecting the Fe(2+) ion to high strain, for example, produced by lattice mismatched epitaxial nanostructures. Our analysis reveals that high strain induces qualitative change in the ion energy spectrum and results in nearly doubly degenerate ground state with spin projection Sz= ± 2. We provide an experimental proof of this concept using a new system: a strained epitaxial quantum dot containing individual Fe(2+) ion. Magnetic character of the Fe(2+) ground state in a CdSe/ZnSe dot is revealed in photoluminescence experiments by exploiting a coupling between a confined exciton and the single-iron impurity. We also demonstrate that the Fe(2+) spin can be oriented by spin-polarized excitons, which opens a possibility of using it as an optically controllable two-level system free of nuclear spin fluctuations. PMID:26818580

  11. Ground Based Reflectance Measurements of Arid Rangeland Vegetation Communities of the Southwestern United States

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In 1997 a research program began using an Analytical Spectral Device (ASD-FR) spectroradiometer to collect ground based in situ radiance/reflectance measurements from vegetation communities typical of semiarid/arid rangelands of southwestern United States. Measurements were made after the spring (Ap...

  12. Numerical studies of ground-state fidelity of the Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    ŁÄ cki, Mateusz; Damski, Bogdan; Zakrzewski, Jakub

    2014-03-01

    We compute ground-state fidelity of the one-dimensional Bose-Hubbard model at unit filling factor. To this aim, we apply the density matrix renormalization group algorithm to systems with open and periodic boundary conditions. We find that fidelity differs significantly in the two cases and study its scaling properties in the quantum critical regime.

  13. Massless ground state for a compact SU (2) matrix model in 4D

    NASA Astrophysics Data System (ADS)

    Boulton, Lyonell; Garcia del Moral, Maria Pilar; Restuccia, Alvaro

    2015-09-01

    We show the existence and uniqueness of a massless supersymmetric ground state wavefunction of a SU (2) matrix model in a bounded smooth domain with Dirichlet boundary conditions. This is a gauge system and we provide a new framework to analyze the quantum spectral properties of this class of supersymmetric matrix models subject to constraints which can be generalized for arbitrary number of colors.

  14. Creation of a strongly dipolar gas of ultracold ground-state 23 Na87 Rb molecules

    NASA Astrophysics Data System (ADS)

    Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Wang, Dajun; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier

    2016-05-01

    We report on successful creation of an ultracold sample of ground-state 23 Na87 Rb molecules with a large effective electric dipole moment. Through a carefully designed two-photon Raman process, we have successfully transferred the magneto-associated Feshbach molecules to the singlet ground state with high efficiency, obtaining up to 8000 23 Na87 Rb molecules with peak number density over 1011 cm-3 in their absolute ground-state level. With an external electric field, we have induced an effective dipole moment over 1 Debye, making 23 Na87 Rb the most dipolar ultracold particle ever achieved. Contrary to the expectation, we observed a rather fast population loss even for 23 Na87 Rb in the absolute ground state with the bi-molecular exchange reaction energetically forbidden. The origin for the short lifetime and possible ways of mitigating it are currently under investigation. Our achievements pave the way toward investigation of ultracold bosonic molecules with strong dipolar interactions. This work is supported by the Hong Kong RGC CUHK404712 and the ANR/RGC Joint Research Scheme ACUHK403/13.

  15. Distribution of Elevated Nitrate Concentrations in Ground Water in Washington State

    USGS Publications Warehouse

    Frans, Lonna

    2008-01-01

    More than 60 percent of the population of Washington State uses ground water for their drinking and cooking needs. Nitrate concentrations in ground water are elevated in parts of the State as a result of various land-use practices, including fertilizer application, dairy operations and ranching, and septic-system use. Shallow wells generally are more vulnerable to nitrate contamination than deeper wells (Williamson and others, 1998; Ebbert and others, 2000). In order to protect public health, the Washington State Department of Health requires that public water systems regularly measure nitrate in their wells. Public water systems serving more than 25 people collect water samples at least annually; systems serving from 2 to 14 people collect water samples at least every 3 years. Private well owners serving one residence may be required to sample when the well is first drilled, but are unregulated after that. As a result, limited information is available to citizens and public health officials about potential exposure to elevated nitrate concentrations for people whose primary drinking-water sources are private wells. The U.S. Geological Survey and Washington State Department of Health collaborated to examine water-quality data from public water systems and develop models that calculate the probability of detecting elevated nitrate concentrations in ground water. Maps were then developed to estimate ground water vulnerability to nitrate in areas where limited data are available.

  16. Green's function Monte Carlo calculation for the ground state of helium trimers

    SciTech Connect

    Cabral, F.; Kalos, M.H.

    1981-02-01

    The ground state energy of weakly bound boson trimers interacting via Lennard-Jones (12,6) pair potentials is calculated using a Monte Carlo Green's Function Method. Threshold coupling constants for self binding are obtained by extrapolation to zero binding.

  17. Relaxation and frequency shifts in the ground state of Rb-85

    NASA Technical Reports Server (NTRS)

    Vanier, J.; Simard, J.-F.; Boulanger, J.-S.

    1974-01-01

    Results are presented on the relaxation and frequency shifts measured for the 0-0 transition of the ground state of Rb-85 at 3.03 GHz in various physical environments. These results include data on spin-exchange, buffer-gas, and wall interactions.

  18. Magnetic ground state of an individual Fe2+ ion in strained semiconductor nanostructure

    PubMed Central

    Smoleński, T.; Kazimierczuk, T.; Kobak, J.; Goryca, M.; Golnik, A.; Kossacki, P.; Pacuski, W.

    2016-01-01

    Single impurities with nonzero spin and multiple ground states offer a degree of freedom that can be utilized to store the quantum information. However, Fe2+ dopant is known for having a single nondegenerate ground state in the bulk host semiconductors and thus is of little use for spintronic applications. Here we show that the well-established picture of Fe2+ spin configuration can be modified by subjecting the Fe2+ ion to high strain, for example, produced by lattice mismatched epitaxial nanostructures. Our analysis reveals that high strain induces qualitative change in the ion energy spectrum and results in nearly doubly degenerate ground state with spin projection Sz=±2. We provide an experimental proof of this concept using a new system: a strained epitaxial quantum dot containing individual Fe2+ ion. Magnetic character of the Fe2+ ground state in a CdSe/ZnSe dot is revealed in photoluminescence experiments by exploiting a coupling between a confined exciton and the single-iron impurity. We also demonstrate that the Fe2+ spin can be oriented by spin-polarized excitons, which opens a possibility of using it as an optically controllable two-level system free of nuclear spin fluctuations. PMID:26818580

  19. Non-periodic discrete Schrödinger equations: ground state solutions

    NASA Astrophysics Data System (ADS)

    Chen, Guanwei; Schechter, Martin

    2016-06-01

    In this paper, we study a class of non-periodic discrete Schrödinger equations with superlinear non-linearities at infinity. Under conditions weaker than those previously assumed, we obtain the existence of ground state solutions, i.e., non-trivial solutions with least possible energy. In addition, an example is given to illustrate our results.

  20. 22 CFR 9b.6 - Grounds for denial, revocation, or non-renewal of Department of State press building passes.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Grounds for denial, revocation, or non-renewal of Department of State press building passes. 9b.6 Section 9b.6 Foreign Relations DEPARTMENT OF STATE GENERAL REGULATIONS GOVERNING DEPARTMENT OF STATE PRESS BUILDING PASSES § 9b.6 Grounds for denial, revocation, or non-renewal of Department of...

  1. First measurement of the partial widths of 209Bi decay to the ground and to the first excited states.

    PubMed

    Beeman, J W; Biassoni, M; Brofferio, C; Bucci, C; Capelli, S; Cardani, L; Carrettoni, M; Clemenza, M; Cremonesi, O; Ferri, E; Giachero, A; Gironi, L; Gorla, P; Gotti, C; Nucciotti, A; Maiano, C; Pattavina, L; Pavan, M; Pessina, G; Pirro, S; Previtali, E; Sisti, M; Zanotti, L

    2012-02-10

    209Bi alpha decay to the ground and to the first excited state have been recently observed for the first time with a large BGO scintillating bolometer. The half-life of 209Bi is determined to be τ(1/2)=(2.01±0.08)×10(19) yr while the branching ratio for the ground-state to ground-state transition is (98.8±0.3)%. PMID:22401058

  2. Variational quantum Monte Carlo ground state of lithium on a Slater orbital basis

    NASA Astrophysics Data System (ADS)

    Eckstein, H.; Schattke, W.

    1995-02-01

    The ground state of bulk lithium at zero temperature is simulated by the variational quantum Monte Carlo algorithm. The total energy and its constituents are determined for two parametrized sets of trial wave functions. Including correlation by a Jastrow factor the one-determinant ansatz consists of either plane waves or a linear combination of Slater orbitals for the Li 2 s states. The latter yields results near those of the diffusion Monte Carlo algorithm.

  3. Ground-state properties of Ag/sub 2/: A local-density pseudopotential approach

    SciTech Connect

    Luis Martins, J.; Andreoni, W.

    1983-12-01

    The local-density approximation of the density-functional theory is applied to calculate the ground-state properties of Ag/sub 2/, within the framework of the pseudopotential method. The calculated values of the bond length and the harmonic vibrational frequency are in good agreement with experiment. The bonding properties are found to be influenced by the d-electron states in a significant way. The results are compared with those of configuration-interaction calculations.

  4. Evolution of the Hox gene complex from an evolutionary ground state.

    PubMed

    Gehring, Walter J; Kloter, Urs; Suga, Hiroshi

    2009-01-01

    In this chapter, we consider the question of how the ordered clusters of Hox genes arose during evolution. Since ordered Hox clusters are found in all major superphyla, we have to assume that the Hox clusters arose before the Cambrian "explosion" giving rise to all of these taxa. Based on his studies of the bithorax complex (BX-C) in Drosophila Lewis considered the ground state to be the mesothoracic segment (T2) since the deletion of all of the genes of the BX-C leads to a transformation of all segments from T3 to A8/9 (the last abdominal segment) into T2 segments. We define the developmental ground state genetically, by assuming that loss-of-function mutants lead to transformations toward the ground state, whereas gain-of-function mutants lead to homeotic transformations away from the ground state. By this definition, T2 also represents the developmental ground state, if one includes the anterior genes, that is, those of the Antennapedia complex. We have reconstructed the evolution of the Hox cluster on the basis of known genetic mechanisms which involve unequal crossover and lead from an urhox gene, first to an anterior and a posterior gene and subsequently to intermediate genes which are progressively inserted, between the anterior and posterior genes. These intermediate genes are recombinant due to unequal crossover, whereas the anterior and posterior genes are not affected and therefore had the longest time to diverge from the urhox gene. The molecular phylogenetic analysis strongly supports this model. We consider the ground state to be both developmental and evolutionary and to represent the prototypic body segment. It corresponds to T2 and is specified by Antennapedia or Hox6, respectively. Experiments in the mouse also suggest that the ground state is a thoracic segment. Evolution leads from the prototypic segment to segmental divergence in both the anterior and posterior direction. The most anterior head and tail segments are specified by homeobox genes

  5. Ground state destabilization by anionic nucleophiles contributes to the activity of phosphoryl transfer enzymes.

    PubMed

    Andrews, Logan D; Fenn, Tim D; Herschlag, Daniel

    2013-07-01

    Enzymes stabilize transition states of reactions while limiting binding to ground states, as is generally required for any catalyst. Alkaline Phosphatase (AP) and other nonspecific phosphatases are some of Nature's most impressive catalysts, achieving preferential transition state over ground state stabilization of more than 10²²-fold while utilizing interactions with only the five atoms attached to the transferred phosphorus. We tested a model that AP achieves a portion of this preference by destabilizing ground state binding via charge repulsion between the anionic active site nucleophile, Ser102, and the negatively charged phosphate monoester substrate. Removal of the Ser102 alkoxide by mutation to glycine or alanine increases the observed Pi affinity by orders of magnitude at pH 8.0. To allow precise and quantitative comparisons, the ionic form of bound P(i) was determined from pH dependencies of the binding of Pi and tungstate, a P(i) analog lacking titratable protons over the pH range of 5-11, and from the ³¹P chemical shift of bound P(i). The results show that the Pi trianion binds with an exceptionally strong femtomolar affinity in the absence of Ser102, show that its binding is destabilized by ≥10⁸-fold by the Ser102 alkoxide, and provide direct evidence for ground state destabilization. Comparisons of X-ray crystal structures of AP with and without Ser102 reveal the same active site and P(i) binding geometry upon removal of Ser102, suggesting that the destabilization does not result from a major structural rearrangement upon mutation of Ser102. Analogous Pi binding measurements with a protein tyrosine phosphatase suggest the generality of this ground state destabilization mechanism. Our results have uncovered an important contribution of anionic nucleophiles to phosphoryl transfer catalysis via ground state electrostatic destabilization and an enormous capacity of the AP active site for specific and strong recognition of the phosphoryl group in

  6. Static Properties and Stark Effect of the Ground State of the HD Molecular Ion

    NASA Technical Reports Server (NTRS)

    Bhatia, A. K.; Drachman, Richard J.

    1999-01-01

    We have calculated static properties of the ground state of the HD(+) ion and its lowest-lying P-state without making use of the Born-Oppenheimer approximation, as was done in the case of H2(+) and D2(+) [Phys. Rev. A 58, 2787 (1998)]. The ion is treated as a three-body system whose ground state is spherically symmetric. The wavefunction is of generalized Hylleraas type, but it is necessary to include high powers of the internuclear distance to localize the nuclear motion. We obtain good values of the energies of the ground S-state and lowest P-state and compare them with earlier calculations. Expectation values are obtained for various operators, the Fermi contact parameters, and the permanent quadrupole moment. The cusp conditions are also calculated. The polarizability was then calculated using second-order perturbation theory with intermediate P pseudostates. Since the nuclei in HD(+) are not of equal mass there is dipole coupling between the lowest two rotational states, which are almost degenerate. This situation is carefully analyzed, and the Stark shift is calculated variationally as a function of the applied electric field.

  7. Long-range interactions between polar bialkali ground-state molecules in arbitrary vibrational levels

    NASA Astrophysics Data System (ADS)

    Vexiau, R.; Lepers, M.; Aymar, M.; Bouloufa-Maafa, N.; Dulieu, O.

    2015-06-01

    We have calculated the isotropic C6 coefficients characterizing the long-range van der Waals interaction between two identical heteronuclear alkali-metal diatomic molecules in the same arbitrary vibrational level of their ground electronic state X1Σ+. We consider the ten species made up of 7Li, 23Na, 39K, 87Rb, and 133Cs. Following our previous work [Lepers et al., Phys. Rev. A 88, 032709 (2013)], we use the sum-over-state formula inherent to the second-order perturbation theory, composed of the contributions from the transitions within the ground state levels, from the transition between ground-state and excited state levels, and from a crossed term. These calculations involve a combination of experimental and quantum-chemical data for potential energy curves and transition dipole moments. We also investigate the case where the two molecules are in different vibrational levels and we show that the Moelwyn-Hughes approximation is valid provided that it is applied for each of the three contributions to the sum-over-state formula. Our results are particularly relevant in the context of inelastic and reactive collisions between ultracold bialkali molecules in deeply bound or in Feshbach levels.

  8. Continuum limit of lattice models with Laughlin-like ground states containing quasiholes

    NASA Astrophysics Data System (ADS)

    Rodríguez, Iván D.; Nielsen, Anne E. B.

    2015-09-01

    There has been significant interest in recent years in finding fractional quantum Hall physics in lattice models, but it is not always clear how these models connect to the corresponding models in continuum systems. Here we introduce a family of models that is able to interpolate between a recently proposed set of lattice models with Laughlin-like ground states constructed from conformal field theory and models with ground states that are practically the usual bosonic/fermionic Laughlin states in the continuum. Both the ground state and the Hamiltonian are known analytically, and we find that the Hamiltonian in the continuum limit does not coincide with the usual delta interaction Hamiltonian for the Laughlin states. We introduce quasiholes into the models and show analytically that their braiding properties are as expected if the quasiholes are screened. We demonstrate screening numerically for the 1/3 Laughlin model and find that the quasiholes are slightly smaller in the continuum than in the lattice. Finally, we compute the effective magnetic field felt by the quasiholes and show that it is close to uniform when approaching the continuum limit. The techniques presented here to interpolate between the lattice and the continuum can also be applied to other fractional quantum Hall states that are constructed from conformal field theory.

  9. Using the ground state of an antiferromagnetic spin-1 atomic condensate for Heisenberg-limited metrology

    NASA Astrophysics Data System (ADS)

    Wu, Ling-Na; You, L.

    2016-03-01

    We show that the ground state of a spin-1 atomic condensate with antiferromagnetic interactions constitutes a useful resource for quantum metrology upon approaching the Heisenberg limit. Unlike a ferromagnetic condensate state where individual atomic spins are aligned in the same direction, the antiferromagnetic ground-state condensate is a condensate of spin-singlet atom pairs. The inherent correlation between paired atoms allows for parameter estimation at precisions beyond the standard quantum limit (SQL) for uncorrelated atoms. The degree of improvement over the SQL is measured by the scaled quantum Fisher information (QFI), whose dependence on the ratio of linear Zeeman shift p to spin-dependent atomic interaction c is studied. At a typical value of p =0.4 c , which corresponds to a magnetic field of 28.6 μ G for c =50 h Hz (for 23Na atom condensate in the F =1 state at a typical density of ˜1014cm-3 ), the scaled QFI can reach ˜0.48 N , which approaches the limit of 0.5 N for the twin-Fock state |N/2 > +|N/2 > - . Our work encourages experimental efforts to reach the ground state of an antiferromagnetic condensate at a extremely low magnetic field.

  10. Dynamics of ground and excited state vibrational relaxation and energy transfer in transition metal carbonyls.

    PubMed

    Delor, Milan; Sazanovich, Igor V; Towrie, Michael; Spall, Steven J; Keane, Theo; Blake, Alexander J; Wilson, Claire; Meijer, Anthony J H M; Weinstein, Julia A

    2014-10-01

    Nonlinear vibrational spectroscopy provides insights into the dynamics of vibrational energy transfer in and between molecules, a crucial phenomenon in condensed phase physics, chemistry, and biology. Here we use frequency-domain 2-dimensional infrared (2DIR) spectroscopy to investigate the vibrational relaxation (VR) and vibrational energy transfer (VET) rates in different solvents in both the electronic ground and excited states of Re(Cl)(CO)3(4,4'-diethylester-2,2'-bipyridine), a prototypical transition metal carbonyl complex. The strong C≡O and ester C═O stretch infrared reporters, located on opposite sides of the molecule, were monitored in the 1600-2100 cm(-1) spectral region. VR in the lowest charge transfer triplet excited state ((3)CT) is found to be up to eight times faster than in the ground state. In the ground state, intramolecular anharmonic coupling may be solvent-assisted through solvent-induced frequency and charge fluctuations, and as such VR rates are solvent-dependent. In contrast, VR rates in the solvated (3)CT state are surprisingly solvent-insensitive, which suggests that predominantly intramolecular effects are responsible for the rapid vibrational deactivation. The increased VR rates in the excited state are discussed in terms of intramolecular electrostatic interactions helping overcome structural and thermodynamic barriers for this process in the vicinity of the central heavy atom, a feature which may be of significance to nonequilibrium photoinduced processes observed in transition metal complexes in general. PMID:25198700

  11. Long-range interactions between polar bialkali ground-state molecules in arbitrary vibrational levels

    SciTech Connect

    Vexiau, R.; Lepers, M. Aymar, M.; Bouloufa-Maafa, N.; Dulieu, O.

    2015-06-07

    We have calculated the isotropic C{sub 6} coefficients characterizing the long-range van der Waals interaction between two identical heteronuclear alkali-metal diatomic molecules in the same arbitrary vibrational level of their ground electronic state X{sup 1}Σ{sup +}. We consider the ten species made up of {sup 7}Li, {sup 23}Na, {sup 39}K, {sup 87}Rb, and {sup 133}Cs. Following our previous work [Lepers et al., Phys. Rev. A 88, 032709 (2013)], we use the sum-over-state formula inherent to the second-order perturbation theory, composed of the contributions from the transitions within the ground state levels, from the transition between ground-state and excited state levels, and from a crossed term. These calculations involve a combination of experimental and quantum-chemical data for potential energy curves and transition dipole moments. We also investigate the case where the two molecules are in different vibrational levels and we show that the Moelwyn-Hughes approximation is valid provided that it is applied for each of the three contributions to the sum-over-state formula. Our results are particularly relevant in the context of inelastic and reactive collisions between ultracold bialkali molecules in deeply bound or in Feshbach levels.

  12. B2N2O4: Prediction of a Magnetic Ground State for a Light Main-Group Molecule

    SciTech Connect

    Varga, Zoltan; Truhlar, Donald G.

    2015-09-08

    Cyclobutanetetrone, (CO)4, has a triplet ground state. Here we predict, based on electronic structure calculations, that the B2N2O4 molecule also has a triplet ground state and is therefore paramagnetic; the structure is an analogue of (CO)4 in which the carbon ring is replaced by a (BN)2 ring. Similar to (CO)4, the triplet ground-state structure of B2N2O4 is also thermodynamically unstable. Besides analysis of the molecular orbitals, we found that the partial atomic charges are good indicators for predicting magnetic ground states.

  13. National and State Attitudes of US Adults Toward Tobacco-Free School Grounds, 2009–2010

    PubMed Central

    Patel, Roshni; Kegler, Michelle C.; Brener, Nancy D.; King, Brian A.

    2015-01-01

    Introduction Schools are an important environment for addressing tobacco use among youth. Tobacco-free school policies can help reduce the social acceptability of tobacco use and prevent tobacco initiation among youth. This study assessed attitudes toward tobacco-free school grounds among US adults. Methods Data came from the 2009–2010 National Adult Tobacco Survey, a telephone survey of adults aged 18 or older in the 50 US states and District of Columbia. Respondents were considered to have a favorable attitude toward tobacco-free school grounds if they reported tobacco use should be completely banned on school grounds, including fields and parking lots, and at all school events. Data were assessed using descriptive statistics and multivariable logistic regression, overall and by tobacco use status. Correlates were sex, age, race/ethnicity, education, marital status, income, sexual orientation, US region, and whether respondent lived with any children aged 17 years or younger. Results Nationally, 86.1% of adults had a favorable attitude toward tobacco-free school grounds, with larger percentages among nontobacco users (91.9%) than current users (76.1%). State prevalence ranged from 80.0% (Kentucky) to 90.9% (Washington). Overall odds of favorable attitudes were higher among nontobacco users (referent, current users), women (referent, men), and adults aged 25 or older (referent, aged 18–24); odds were lower among residents of the South (referent, West) and lesbian, gay, bisexual, or transgender adults (referent, heterosexual or straight). Conclusion Nearly 9 in 10 US adults have a favorable attitude toward tobacco-free school grounds, but attitudes vary across states and subpopulations. Opportunities exist to educate the public about the benefits of tobacco-free school grounds, which might help reduce tobacco use among youth. PMID:26719899

  14. Classification of matrix-product ground states corresponding to one-dimensional chains of two-state sites of nearest neighbor interactions

    SciTech Connect

    Fatollahi, Amir H.; Khorrami, Mohammad; Shariati, Ahmad; Aghamohammadi, Amir

    2011-04-15

    A complete classification is given for one-dimensional chains with nearest-neighbor interactions having two states in each site, for which a matrix product ground state exists. The Hamiltonians and their corresponding matrix product ground states are explicitly obtained.

  15. Solid State Pathways to Complex Shape Evolution and Tunable Porosity during Metallic Crystal Growth

    PubMed Central

    Valenzuela, Carlos Díaz; Carriedo, Gabino A.; Valenzuela, María L.; Zúñiga, Luis; O'Dwyer, Colm

    2013-01-01

    Growing complex metallic crystals, supported high index facet nanocrystal composites and tunable porosity metals, and exploiting factors that influence shape and morphology is crucial in many exciting developments in chemistry, catalysis, biotechnology and nanoscience. Assembly, organization and ordered crystallization of nanostructures into complex shapes requires understanding of the building blocks and their association, and this relationship can define the many physical properties of crystals and their assemblies. Understanding crystal evolution pathways is required for controlled deposition onto surfaces. Here, complex metallic crystals on the nano- and microscale, carbon supported nanoparticles, and spinodal porous noble metals with defined inter-feature distances in 3D, are accomplished in the solid-state for Au, Ag, Pd, and Re. Bottom-up growth and positioning is possible through competitive coarsening of mobile nanoparticles and their site-specific crystallization in a nucleation-dewetted matrix. Shape evolution, density and growth mechanism of complex metallic crystals and porous metals can be imaged during growth. PMID:24026532

  16. Ground state cooling of a nanomechanical resonator using electron transport in hybrid systems

    NASA Astrophysics Data System (ADS)

    Rastelli, Gianluca; Stadler, Pascal; Belzig, Wolfgang

    A still open challenge in nanoelectromechanical systems is the achievement of the quantum regime via active cooling and using electron transport. I will discuss active ground state cooling in a bottom-up device, viz. a carbon nanotube quantum dot suspended between two electric nano-contacts, and for two different coherent transport regimes: (i) spin-polarized current between two ferromagnets and (ii) sub-gap Andreev current between a superconductor and a normal metal. I will show that efficient ground state cooling of the resonator can be achieved for realistic parameters of the system and varying the transport parameters, e.g. gate voltage, magnetic field, etc. Finally I will discuss the signatures in the current-voltage characteristics of the non-equilibrium state of the nanoresonator. Zukunftskolleg of the University of Konstanz; DFG through SFB 767 and BE 3803/5.

  17. Electronic structure of fluorides: general trends for ground and excited state properties

    NASA Astrophysics Data System (ADS)

    Cadelano, E.; Cappellini, G.

    2011-05-01

    The electronic structure of fluorite crystals are studied by means of density functional theory within the local density approximation for the exchange correlation energy. The ground-state electronic properties, which have been calculated for the cubic structures CaF2, SrF2, BaF2, CdF2, HgF2, β-PbF2, using a plane waves expansion of the wave functions, show good comparison with existing experimental data and previous theoretical results. The electronic density of states at the gap region for all the compounds and their energy-band structure have been calculated and compared with the existing data in the literature. General trends for the ground-state parameters, the electronic energy-bands and transition energies for all the fluorides considered are given and discussed in details. Moreover, for the first time results for HgF2 have been presented.

  18. Spectroscopy of ground and excited states of pseudoscalar and vector charmonium and bottomonium

    NASA Astrophysics Data System (ADS)

    Negash, Hluf; Bhatnagar, Shashank

    2016-07-01

    In this paper, we calculate the mass spectrum, weak decay constants, two photon decay widths, and two-gluon decay widths of ground (1S) and radially excited (2S, 3S,…) states of pseudoscalar charmoniuum and bottomonium such as ηc and ηb, as well as the mass spectrum and leptonic decay constants of ground state (1S), excited (2S, 1D, 3S, 2D, 4S,…, 5D) states of vector charmonium and bottomonium such as J/ψ, and Υ, using the formulation of Bethe-Salpeter equation under covariant instantaneous ansatz (CIA). Our results are in good agreement with data (where ever available) and other models. In this framework, from the beginning, we employ a 4 × 4 representation for two-body (qq¯) BS amplitude for calculating both the mass spectra as well as the transition amplitudes. However, the price we have to pay is to solve a coupled set of equations for both pseudoscalar and vector quarkonia, which we have explicitly shown get decoupled in the heavy-quark approximation, leading to mass spectral equation with analytical solutions for both masses, as well as eigenfunctions for all the above states, in an approximate harmonic oscillator basis. The analytical forms of eigenfunctions for ground and excited states so obtained are used to evaluate the decay constants and decay widths for different processes.

  19. Tuning the Spin-Orbit Coupled Ground State of Iridates with Pressure

    NASA Astrophysics Data System (ADS)

    Haskel, Daniel

    2013-03-01

    The electronic ground state of the novel magnetic insulators BaIrO3 and Sr2IrO4 is probed at ambient and high-pressure conditions using x-ray absorption and magnetic circular dichroism measurements. A spin-only description of the magnetic ground state is ruled out, spin-orbit entanglement in 5 dstates resulting in comparable orbital (Lz) and spin (Sz) contributions to the localized magnetic moments despite the presence of strong crystal fields and band effects in Ir 5d states. Pressures of ~ 5 GPa and 20 GPa quench the ``weak'' ferromagnetic ordering in BaIrO3 and Sr2IrO4, respectively, despite robust local moments and insulating behavior remaining at these pressures, confirming the Mott character of the insulating gap. The expectation value of the angular part of the S-O interaction, , extrapolates to zero at 80-90 GPa in Sr2IrO4 where an increased bandwidth strongly mixes Jeff = 1/2, 3/2 states and S-O interactions no longer dominate the electronic ground state. The likely appearance of a single, metallic band at a pressure of ~ 1 Mbar (100 GPa) provides an exciting backdrop for searches of superconductivity at high pressures. Work at Argonne is supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC-02-06CH11357.

  20. Experimental and theoretical dipole moments of purines in their ground and lowest excited singlet states

    NASA Astrophysics Data System (ADS)

    Aaron, Jean-Jacques; Diabou Gaye, Mame; Párkányi, Cyril; Cho, Nam Sook; Von Szentpály, László

    1987-01-01

    The ground-state dipole moments of seven biologically important purines (purine, 6-chloropurine, 6-mercaptopurine, hypoxanthine, theobromine, theophylline and caffeine) were determined at 25°C in acetic acid (all the above compounds with the exception of purine) and in ethyl acetate (purine, theophylline and caffeine). Because of its low solubility, it was not possible to measure the dipole moment of uric acid. The first excited singlet-state dipole moments were obtained on the basis of the Bakhshiev and Chamma—Viallet equations using the variation of the Stokes shift with the solvent dielectric constant-refractive index term. The theoretical dipole moments for all the purines listed above and including uric acid were calculated by combining the use of the PPP (π-LCI-SCF-MO) method for the π-contribution to the overall dipole moment with the σ-contribution obtained as a vector sum of the σbond moments and group moments. The experimental and theoretical values were compared with the data available in the literature for some of the purines under study. For several purines, the calculations were carried out for different tautomeric forms. Excited singlet-state dipole moments are smaller than the ground-state values by 0.8 to 2.2 Debye units for all purines under study with the exception of 6-chloropurine. The effects of the structure upon the ground- and excited-state dipole moments of the purines are discussed.

  1. On the hyperfine structures of the ground state(s) in the 6Li and 7Li atoms

    NASA Astrophysics Data System (ADS)

    Frolov, A. M.

    2016-06-01

    Hyperfine structure of the ground 22 S-states of the three-electron atoms and ions is investigated. By using our recent numerical values for the doublet electron density at the atomic nucleus we determine the hyperfine structure of the ground (doublet) 22 S-state(s) in the 6Li and 7Li atoms. Our predicted values (228.2058MHz and 803.5581MHz, respectivly) agree well with the experimental values 228.20528(8) MHz (6Li) and 803.50404(48) MHz (7Li (R.G. Schlecht and D.W. McColm, Phys. Rev. 142, 11 (1966))). The hyperfine structures of a number of lithium isotopes with short life-times, including 8Li, 9Li and 11Li atoms are also predicted. The same method is used to obtain the hyperfine structures of the three-electron 7Be+ and 9Be+ ions in their ground 22 S-states. Finally, we conclude that our approach can be generalized to describe the hyperfine structure in the triplet n 3 S-states of the four-electron atoms and ions.

  2. Impact of ground- and excited-state aromaticity on cyclopentadiene and silole excitation energies and excited-state polarities.

    PubMed

    Jorner, Kjell; Emanuelsson, Rikard; Dahlstrand, Christian; Tong, Hui; Denisova, Aleksandra V; Ottosson, Henrik

    2014-07-21

    A new qualitative model for estimating the properties of substituted cyclopentadienes and siloles in their lowest ππ* excited states is introduced and confirmed through quantum chemical calculations, and then applied to explain earlier reported experimental excitation energies. According to our model, which is based on excited-state aromaticity and antiaromaticity, siloles and cyclopentadienes are cross-hyperconjugated "aromatic chameleons" that adapt their electronic structures to conform to the various aromaticity rules in different electronic states (Hückel's rule in the π(2) electronic ground state (S0) and Baird's rule in the lowest ππ* excited singlet and triplet states (S1 and T1)). By using pen-and-paper arguments, one can explain polarity changes upon excitation of substituted cyclopentadienes and siloles, and one can tune their lowest excitation energies by combined considerations of ground- and excited-state aromaticity/antiaromaticity effects. Finally, the "aromatic chameleon" model can be extended to other monocyclic compound classes of potential use in organic electronics, thereby providing a unified view of the S0, T1, and S1 states of a range of different cyclic cross-π-conjugated and cross-hyperconjugated compound classes. PMID:25043523

  3. Ground and Low-Lying Collective States of Rotating Three-Boson System

    NASA Astrophysics Data System (ADS)

    Imran, Mohd.; Ahsan, M. A. H.

    2016-04-01

    The ground and low-lying collective states of a rotating system of N = 3 bosons harmonically confined in quasi-two-dimension and interacting via repulsive finite-range Gaussian potential is studied in weakly to moderately interacting regime. The N-body Hamiltonian matrix is diagonalized in subspaces of quantized total angular momenta 0 ≥ L ≥ 4N to obtain the ground and low-lying eigenstates. Our numerical results show that breathing modes with N-body eigenenergy spacing of 2ħω⊥, known to exist in strictly 2D system with zero-range (δ-function) interaction potential, may as well exist in quasi-2D system with finite-range Gaussian interaction potential. To gain an insight into the many-body states, the von Neumann entropy is calculated as a measure of quantum correlation and the conditional probability distribution is analyzed for the internal structure of the eigenstates. In the rapidly rotating regime the ground state in angular momentum subspaces L = (q/2)N (N ‑ 1) with q = 2, 4 is found to exhibit the anticorrelation structure suggesting that it may variationally be described by a Bose-Laughlin like state. We further observe that the first breathing mode exhibits features similar to the Bose-Laughlin state in having eigenenergy, von Neumann entropy and internal structure independent of interaction for the three-boson system considered here. On the contrary, for eigenstates lying between the Bose-Laughlin like ground state and the first breathing mode, values of eigenenergy, von Neumann entropy and internal structure are found to vary with interaction.

  4. On the ground electronic states of copper silicide and its ions

    NASA Astrophysics Data System (ADS)

    Boldyrev, Alexander I.; Simons, Jack; Scherer, J. J.; Paul, J. B.; Collier, C. P.; Saykally, R. J.

    1998-04-01

    The low-lying electronic states of SiCu, SiCu+, and SiCu- have been studied using a variety of high-level ab initio techniques. As expected on the basis of simple orbital occupancy and bond forming for Si(s2p2)+Cu(s1) species, 2Πr, 1Σ+, and 3Σ- states were found to be the ground electronic states for SiCu, SiCu+, and SiCu-, respectively; the 2Πr state is not that suggested in most recent experimental studies. All of these molecules were found to be quite strongly bound although the bond lengths, bond energies, and harmonic frequencies vary slightly among them, as a result of the nonbonding character of the 2π-MO (molecular orbital) [composed almost entirely of the Si 3p-AO (atomic orbital)], the occupation of which varies from 0 to 2 within the 1Σ+, 2Πr, and 3Σ- series. The neutral SiCu is found to have bound excited electronic states of 4Σ-, 2Δ, 2Σ+, and 2Πi symmetry lying 0.5, 1.2, 1.8, and 3.2 eV above the 2Πr ground state. It is possible but not yet certain that the 2Πi state is, in fact, the "B state" observed in the recent experimental studies by Scherer, Paul, Collier, and Saykally.

  5. Physical states and finite-size effects in Kitaev's honeycomb model: Bond disorder, spin excitations, and NMR line shape

    NASA Astrophysics Data System (ADS)

    Zschocke, Fabian; Vojta, Matthias

    2015-07-01

    Kitaev's compass model on the honeycomb lattice realizes a spin liquid whose emergent excitations are dispersive Majorana fermions and static Z2 gauge fluxes. We discuss the proper selection of physical states for finite-size simulations in the Majorana representation, based on a recent paper by F. L. Pedrocchi, S. Chesi, and D. Loss [Phys. Rev. B 84, 165414 (2011), 10.1103/PhysRevB.84.165414]. Certain physical observables acquire large finite-size effects, in particular if the ground state is not fermion-free, which we prove to generally apply to the system in the gapless phase and with periodic boundary conditions. To illustrate our findings, we compute the static and dynamic spin susceptibilities for finite-size systems. Specifically, we consider random-bond disorder (which preserves the solubility of the model), calculate the distribution of local flux gaps, and extract the NMR line shape. We also predict a transition to a random-flux state with increasing disorder.

  6. New low-energy 0+ state and shape coexistence in 70Ni

    NASA Astrophysics Data System (ADS)

    Prokop, C. J.; Crider, B. P.; Liddick, S. N.; Ayangeakaa, A. D.; Carpenter, M. P.; Carroll, J. J.; Chen, J.; Chiara, C. J.; David, H. M.; Dombos, A. C.; Go, S.; Harker, J.; Janssens, R. V. F.; Larson, N.; Lauritsen, T.; Lewis, R.; Quinn, S. J.; Recchia, F.; Seweryniak, D.; Spyrou, A.; Suchyta, S.; Walters, W. B.; Zhu, S.

    2015-12-01

    In recent models, the neutron-rich Ni isotopes around N =40 are predicted to exhibit multiple low-energy excited 0+ states attributed to neutron and proton excitations across both the N =40 and Z =28 shell gaps. In 68Ni, the three observed 0+ states have been interpreted in terms of triple shape coexistence between spherical, oblate, and prolate deformed shapes. In the present work a new (02+) state at an energy of 1567 keV has been discovered in 70Ni by using β -delayed, γ -ray spectroscopy following the decay of 70Co. The precipitous drop in the energy of the prolate-deformed 0+ level between 68Ni and 70Ni with the addition of two neutrons compares favorably with results of Monte Carlo shell-model calculations carried out in the large f p g9 /2d5 /2 model space, which predict a 02+ state at 1525 keV in 70Ni. The result extends the shape-coexistence picture in the region to 70Ni and confirms the importance of the role of the tensor component of the monopole interaction in describing the structure of neutron-rich nuclei.

  7. Non-yrast states and shape co-existence in light Pt isotopes

    NASA Astrophysics Data System (ADS)

    Davidson, P. M.; Dracoulis, G. D.; Kibédi, T.; Byrne, A. P.; Anderssen, S. S.; Baxter, A. M.; Fabricius, B.; Lane, G. J.; Stuchbery, A. E.

    1999-09-01

    Low-lying states in the even-even light platinum isotopes 176Pt, 178Pt, 180Pt and 182Pt have been populated using β+ /EC decay from parent gold nuclei, created in (HI, xn) reactions. State energies, spins and parities and γ-ray branching ratios were determined using γ-ray and electron spectroscopy. Whereas non-yrast states were observed in 178Pt, 180Pt and 182Pt, none were seen in 176Pt. The excitation energies of the observed states are analysed in terms of a band-mixing model, yielding the moments of inertia of the unperturbed bands. Branching ratios and ground-state-band quadrupole moments are calculated and compared with experimental values. The results indicate that the two lowest-lying 0 + states in each of the light Pt isotopes are formed from the mixing of two intrinsic states of different deformation, and other low-lying states can be described as admixtures of rotational states built on these intrinsic states, and on γ-vibrational states.

  8. Metal Oxide Nanoparticles: The Importance of Size, Shape, Chemical Composition, and Valence State in Determining Toxicity

    NASA Astrophysics Data System (ADS)

    Dunnick, Katherine

    Nanoparticles, which are defined as a structure with at least one dimension between 1 and 100 nm, have the potential to be used in a variety of consumer products due to their improved functionality compared to similar particles of larger size. Their small size is associated with increased strength, improved catalytic properties, and increased reactivity; however, their size is also associated with increased toxicity in vitro and in vivo. Numerous toxicological studies have been conducted to determine the properties of nanomaterials that increase their toxicity in order to manufacture new nanomaterials with decreased toxicity. Data indicates that size, shape, chemical composition, and valence state of nanomaterials can dramatically alter their toxicity profile. Therefore, the purpose of this dissertation was to determine how altering the shape, size, and chemical composition of various metal oxide nanoparticles would affect their toxicity. Metal oxides are used in variety of consumer products, from spray-sun screens, to food coloring agents; thus, understanding the toxicity of metal oxides and determining which aspects affect their toxicity may provide safe alternatives nanomaterials for continued use in manufacturing. Tungstate nanoparticles toxicity was assessed in an in vitro model using RAW 264.7 cells. The size, shape, and chemical composition of these nanomaterials were altered and the effect on reactive oxygen species and general cytotoxicity was determined using a variety of techniques. Results demonstrate that shape was important in reactive oxygen species production as wires were able to induce significant reactive oxygen species compared to spheres. Shape, size, and chemical composition did not have much effect on the overall toxicity of these nanoparticles in RAW 264.7 cells over a 72 hour time course, implicating that the base material of the nanoparticles was not toxic in these cells. To further assess how chemical composition can affect toxicity

  9. Ground Water Atlas of the United States: Segment 10, Illinois, Indiana, Kentucky, Ohio, Tennessee

    USGS Publications Warehouse

    Lloyd, Orville B.; Lyke, William L.

    1995-01-01

    This report provides a summary of ground-water conditions and problems in Illinois, Indiana, Kentucky, Ohio, and Tennessee, which compose Segment 10 of the Ground Water Atlas of the United States, an area of about 217,000 square miles. The definition, distribution, thickness, water-yielding, and water-quality characteristics of the principal aquifers in the segment are the primary topics of this chapter. Ground-water source, occurrence, movement, use, and problems also are discussed where appropriate. Segment 10 consists of parts of seven physiographic provinces (fig. 1)- the Coastal Plain, Blue Ridge, Valley and Ridge, Appalachian Plateaus, Interior Low Plateaus, Central Lowland, and Ozark Plateaus. The provinces have unique hydrogeologic characteristics that make it convenient to describe the principal aquifers in each province.

  10. Ground-state candidate for the classical dipolar kagome Ising antiferromagnet

    NASA Astrophysics Data System (ADS)

    Chioar, I. A.; Rougemaille, N.; Canals, B.

    2016-06-01

    We have investigated the low-temperature thermodynamic properties of the classical dipolar kagome Ising antiferromagnet using Monte Carlo simulations, in the quest for the ground-state manifold. In spite of the limitations of a single-spin-flip approach, we managed to identify certain ordering patterns in the low-temperature regime and we propose a candidate for this unknown state. This configuration presents some intriguing features and is fully compatible with the extrapolations of the at-equilibrium thermodynamic behavior sampled so far, making it a very likely choice for the dipolar long-range ordered state of the classical kagome Ising antiferromagnet.

  11. Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.

    PubMed

    Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally

    2016-03-21

    We report the exceptional observation of two different magnetic ground states (MGS), spin glass (SG, T(B) = 7 K) and ferrimagnet (FI, T(C) = 18 K), for one crystal structure of [{Mn(II)(D/L-NH2ala)}3{Mn(III)(CN)6}]·3H2O obtained from [Mn(CN)6](3-) and D/L-aminoalanine, in contrast to one MGS for [{Mn(II)(L-NH2ala)}3{Cr(III)(CN)6}]·3H2O. They consist of three Mn(NH2ala) helical chains bridged by M(III)(CN)6 to give the framework with disordered water molecules in channels and between the M(III)(CN)6. Both MGS are characterized by a negative Weiss constant, bifurcation in ZFC-FC magnetizations, blocking of the moments, both components of the ac susceptibilities, and hysteresis. They differ in the critical temperatures, absolute magnetization for 5 Oe FC (lack of spontaneous magnetization for the SG), and the shapes of the hysteresis and coercive fields. While isotropic pressure increases both T(crit) and the magnetizations linearly and reversibly in each case, dehydration progressively transforms the FI into the SG as followed by concerted in situ magnetic measurements and single-crystal diffraction. The relative strengths of the two moderate Mn(III)-CN-Mn(II) antiferromagnetic (J1 and J2), the weak Mn(II)-OCO-Mn(II) (J3), and Dzyaloshinkii-Moriya antisymmetric (DM) interactions generate the two sets of characters. Examination of the bond lengths and angles for several crystals and their corresponding magnetic properties reveals a correlation between the distortion of Mn(III)(CN)6 and the MGS. SG is favored by higher magnetic anisotropy by less distorted Mn(III)(CN)6 in good accordance with the Mn-Cr system. This conclusion is also born out of the magnetization measurements on orientated single crystals with fields parallel and perpendicular to the unique c axis of the hexagonal space group. PMID:26893217

  12. Nitrate in Ground Waters of the United States: Contrasting Scales and Processes

    NASA Astrophysics Data System (ADS)

    Nolan, B. T.

    2002-12-01

    Nitrate is one of the most ubiquitous compounds in ground water. Studies conducted during 1992 - 1995 by the U.S. Geological Survey's National Water Quality Assessment (NAWQA) Program detected nitrate in 71% of shallow ground water samples, more than 13 times as often as organic nitrogen, ammonia, nitrite, and orthophosphate (based on a common detection threshold of 0.2 mg/L). Nitrate commonly occurs in mixtures with other contaminants. Mixtures of "anthropogenic" nitrate (>3 mg/L as N), atrazine, and deethylatrazine were among the most frequently occurring mixtures in ground water samples from 1,497 domestic and public supply wells. The samples were analyzed for nitrate, 83 pesticides, and 60 volatile organic compounds. Elevated nitrate concentration in ground water has been associated with adverse health effects. Interpretive studies conducted at contrasting spatial scales reveal different processes influencing nitrate behavior in ground water. At the national scale, an empirical model indicates that leaching and water-table position influence nitrate concentration in shallow ground water (typically <5 m deep). The probability of nitrate contamination is greater in areas with high nitrogen loading and well-drained soils overlying unconsolidated sand and gravel deposits. Median nitrate concentration for wells grouped by mapped probability region increases from 0.24 to 8.3 mg/L as the predicted probability of nitrate exceeding 4 mg/L increases from 0.17 or less to >0.83. With these shallow ground-water data, nitrate contamination risk increases with increasing depth to ground water because of reduced denitrification potential. Denitrification commonly occurs under anoxic conditions in areas with very shallow depth to ground water (i.e., high water-table position). A regional study indicates that nitrate reduction and calcite dissolution processes influence nitrate concentration in ground waters of the southeastern United States. Water and sediment of the North

  13. Correlation between ground state and orbital anisotropy in heavy fermion materials

    SciTech Connect

    Willers, Thomas; Strigari, Fabio; Hu, Zhiwei; Sessi, Violetta; Brookes, Nicholas B.; Bauer, Eric D.; Sarrao, John L.; Thompson, J. D.; Tanaka, Arata; Wirth, Steffen; Tjeng, Liu Hao; Severing, Andrea

    2015-02-09

    The interplay of structural, orbital, charge, and spin degrees of freedom is at the heart of many emergent phenomena, including superconductivity. We find that unraveling the underlying forces of such novel phases is a great challenge because it not only requires understanding each of these degrees of freedom, it also involves accounting for the interplay between them. Cerium-based heavy fermion compounds are an ideal playground for investigating these interdependencies, and we present evidence for a correlation between orbital anisotropy and the ground states in a representative family of materials. We have measured the 4f crystal-electric field ground-state wave functions of the strongly correlated materials CeRh1₋xIrxIn5 with great accuracy using linear polarization-dependent soft X-ray absorption spectroscopy. These measurements show that these wave functions correlate with the ground-state properties of the substitution series, which covers long-range antiferromagnetic order, unconventional superconductivity, and coexistence of these two states.

  14. Ground-state selection from anharmonic zero-point energy in the pyrochlore antiferromagnet

    NASA Astrophysics Data System (ADS)

    Hizi, Uzi; Henley, Christopher L.

    2004-03-01

    In the pyrochlore lattice Heisenberg antiferromagnet, for large spin length S, the massive classical ground state degeneracy is partly lifted by the zero-point energy of quantum fluctuations at harmonic order in spin waves. [1] In a system of O(L^3) spins, there remained O(exp(const L)) collinear states, exactly degenerate to that order. We have extended the calculation to quartic order, assuming a Gaussian variational wavefunction (equivalent to Hartree-Fock approximation). Preliminary quartic calculations do break the harmonic-order degeneracy of two periodic ground states. We estimate the scaling with S of the mean-square spin fluctuations (which diverge at harmonic order). The results differ from analogous ones for the kagome Heisenberg antiferromagnet [2], where the harmonic-order ground states are coplanar. Our aim is to represent the quartic energy differences by an effective Ising Hamiltonian in the spirit of [1]. [1] C. L. Henley, APS March Meeting 2001, abstract W24.010. [2] A. Chubukov, PRL 69, 832 (1992); C. L. Henley and E. P. Chan, J. Mag. Mag. Mater. 140-144, 1693 (1995).

  15. Guidelines for earthquake ground motion definition for the eastern United States

    SciTech Connect

    Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.

    1985-01-01

    Guidelines for the determination of earthquake ground-motion definition for the eastern United States are established in this paper. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large to great (M > 7.5) sized earthquakes have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes have been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data has been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the Safe Shutdown Earthquake, SSE. A new procedure for establishing the Operating Basis Earthquake, OBE, is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors. 17 refs., 2 figs., 1 tab.

  16. Correlation between ground state and orbital anisotropy in heavy fermion materials

    DOE PAGESBeta

    Willers, Thomas; Strigari, Fabio; Hu, Zhiwei; Sessi, Violetta; Brookes, Nicholas B.; Bauer, Eric D.; Sarrao, John L.; Thompson, J. D.; Tanaka, Arata; Wirth, Steffen; et al

    2015-02-09

    The interplay of structural, orbital, charge, and spin degrees of freedom is at the heart of many emergent phenomena, including superconductivity. We find that unraveling the underlying forces of such novel phases is a great challenge because it not only requires understanding each of these degrees of freedom, it also involves accounting for the interplay between them. Cerium-based heavy fermion compounds are an ideal playground for investigating these interdependencies, and we present evidence for a correlation between orbital anisotropy and the ground states in a representative family of materials. We have measured the 4f crystal-electric field ground-state wave functions ofmore » the strongly correlated materials CeRh1₋xIrxIn5 with great accuracy using linear polarization-dependent soft X-ray absorption spectroscopy. These measurements show that these wave functions correlate with the ground-state properties of the substitution series, which covers long-range antiferromagnetic order, unconventional superconductivity, and coexistence of these two states.« less

  17. Correlation between ground state and orbital anisotropy in heavy fermion materials

    PubMed Central

    Willers, Thomas; Strigari, Fabio; Hu, Zhiwei; Sessi, Violetta; Brookes, Nicholas B.; Bauer, Eric D.; Sarrao, John L.; Thompson, J. D.; Tanaka, Arata; Wirth, Steffen; Tjeng, Liu Hao; Severing, Andrea

    2015-01-01

    The interplay of structural, orbital, charge, and spin degrees of freedom is at the heart of many emergent phenomena, including superconductivity. Unraveling the underlying forces of such novel phases is a great challenge because it not only requires understanding each of these degrees of freedom, it also involves accounting for the interplay between them. Cerium-based heavy fermion compounds are an ideal playground for investigating these interdependencies, and we present evidence for a correlation between orbital anisotropy and the ground states in a representative family of materials. We have measured the 4f crystal-electric field ground-state wave functions of the strongly correlated materials CeRh1−xIrxIn5 with great accuracy using linear polarization-dependent soft X-ray absorption spectroscopy. These measurements show that these wave functions correlate with the ground-state properties of the substitution series, which covers long-range antiferromagnetic order, unconventional superconductivity, and coexistence of these two states. PMID:25675488

  18. Exact ground state for the four-electron problem in a 2D finite honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Trencsényi, Réka; Glukhov, Konstantin; Gulácsi, Zsolt

    2014-07-01

    Working in a subspace with dimensionality much smaller than the dimension of the full Hilbert space, we deduce exact four-particle ground states in 2D samples containing hexagonal repeat units and described by Hubbard type of models. The procedure identifies first a small subspace ? in which the ground state ? is placed, than deduces ? by exact diagonalization in ?. The small subspace is obtained by the repeated application of the Hamiltonian ? on a carefully chosen starting wave vector describing the most interacting particle configuration, and the wave vectors resulting from the application of ?, till the obtained system of equations closes in itself. The procedure which can be applied in principle at fixed but arbitrary system size and number of particles is interesting on its own since it provides exact information for the numerical approximation techniques which use a similar strategy, but apply non-complete basis for ?. The diagonalization inside ? provides an incomplete image of the low lying part of the excitation spectrum, but provides the exact ?. Once the exact ground state is obtained, its properties can be easily analysed. The ? is found always as a singlet state whose energy, interestingly, saturates in the ? limit. The unapproximated results show that the emergence probabilities of different particle configurations in the ground state presents 'Zittern' (trembling) characteristics which are absent in 2D square Hubbard systems. Consequently, the manifestation of the local Coulomb repulsion in 2D square and honeycomb types of systems presents differences, which can be a real source in the differences in the many-body behaviour.

  19. Nationwide outbreak of multidrug-resistant Salmonella Heidelberg infections associated with ground turkey: United States, 2011.

    PubMed

    Routh, J A; Pringle, J; Mohr, M; Bidol, S; Arends, K; Adams-Cameron, M; Hancock, W T; Kissler, B; Rickert, R; Folster, J; Tolar, B; Bosch, S; Barton Behravesh, C; Williams, I T; Gieraltowski, L

    2015-11-01

    On 23 May 2011, CDC identified a multistate cluster of Salmonella Heidelberg infections and two multidrug-resistant (MDR) isolates from ground turkey retail samples with indistinguishable pulsed-field gel electrophoresis patterns. We defined cases as isolation of outbreak strains in persons with illness onset between 27 February 2011 and 10 November 2011. Investigators collected hypothesis-generating questionnaires and shopper-card information. Food samples from homes and retail outlets were collected and cultured. We identified 136 cases of S. Heidelberg infection in 34 states. Shopper-card information, leftover ground turkey from a patient's home containing the outbreak strain and identical antimicrobial resistance profiles of clinical and retail samples pointed to plant A as the source. On 3 August, plant A recalled 36 million pounds of ground turkey. This outbreak increased consumer interest in MDR Salmonella infections acquired through United States-produced poultry and played a vital role in strengthening food safety policies related to Salmonella and raw ground poultry. PMID:25865382

  20. Operational physical conditions for a solid-state-engine (SSE) applying shape memory (SM) alloy

    SciTech Connect

    Kajamaa, J.

    1987-03-01

    The physical conditions for a solid-state-engine (SSE) applying shape memory (SM) alloy is treated based on both experimental results and theoretical considerations. First, the mechanical efficiency is derived. It is compared to that of the fuel engine. Then, the energy transformation diagram is drawn. By means of this the overall efficiency of the system is defined. Also it is concluded that this system can store a part of the accepted kinetic energy as a potential energy in a reversible manner.

  1. Robust coherent superposition of states by single-shot shaped pulse

    NASA Astrophysics Data System (ADS)

    Ndong, Mamadou; Djotyan, Gagik; Ruschhaupt, Andreas; Guérin, Stéphane

    2015-09-01

    We adapt a single-shot shaped pulse technique to produce robust coherent superpositions of quantum states with a high fidelity of control. We derive simple pulses of low areas for the corresponding Rabi frequency which are robust with respect to pulse area imperfections. Such features of robustness, high-fidelity, and low Rabi frequency area are crucial steps towards the experimental implementation of scalable quantum gates.

  2. 19 CFR 10.25 - Textile components cut to shape in the United States and assembled abroad.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 19 Customs Duties 1 2011-04-01 2011-04-01 false Textile components cut to shape in the United States and assembled abroad. 10.25 Section 10.25 Customs Duties U.S. CUSTOMS AND BORDER PROTECTION... components cut to shape in the United States and assembled abroad. Where a textile component is cut to...

  3. 19 CFR 10.25 - Textile components cut to shape in the United States and assembled abroad.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 19 Customs Duties 1 2010-04-01 2010-04-01 false Textile components cut to shape in the United... RATE, ETC. General Provisions Articles Assembled Abroad with United States Components § 10.25 Textile components cut to shape in the United States and assembled abroad. Where a textile component is cut to...

  4. 19 CFR 10.25 - Textile components cut to shape in the United States and assembled abroad.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 19 Customs Duties 1 2012-04-01 2012-04-01 false Textile components cut to shape in the United... RATE, ETC. General Provisions Articles Assembled Abroad with United States Components § 10.25 Textile components cut to shape in the United States and assembled abroad. Where a textile component is cut to...

  5. 19 CFR 10.25 - Textile components cut to shape in the United States and assembled abroad.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 19 Customs Duties 1 2013-04-01 2013-04-01 false Textile components cut to shape in the United... RATE, ETC. General Provisions Articles Assembled Abroad with United States Components § 10.25 Textile components cut to shape in the United States and assembled abroad. Where a textile component is cut to...

  6. 19 CFR 10.25 - Textile components cut to shape in the United States and assembled abroad.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 19 Customs Duties 1 2014-04-01 2014-04-01 false Textile components cut to shape in the United... RATE, ETC. General Provisions Articles Assembled Abroad with United States Components § 10.25 Textile components cut to shape in the United States and assembled abroad. Where a textile component is cut to...

  7. Ground Water Atlas of the United States: Segment 1, California, Nevada

    USGS Publications Warehouse

    Planert, Michael; Williams, John S.

    1995-01-01

    California and Nevada compose Segment 1 of the Ground Water Atlas of the United States. Segment 1 is a region of pronounced physiographic and climatic contrasts. From the Cascade Mountains and the Sierra Nevada of northern California, where precipitation is abundant, to the Great Basin in Nevada and the deserts of southern California, which have the most arid environments in the United States, few regions exhibit such a diversity of topography or environment. Since the discovery of gold in the mid-1800's, California has experienced a population, industrial, and agricultural boom unrivaled by that of any other State. Water needs in California are very large, and the State leads the United States in agricultural and municipal water use. The demand for water exceeds the natural water supply in many agricultural and nearly all urban areas. As a result, water is impounded by reservoirs in areas of surplus and transported to areas of scarcity by an extensive network of aqueducts. Unlike California, which has a relative abundance of water, development in Nevada has been limited by a scarcity of recoverable freshwater. The Truckee, the Carson, the Walker, the Humboldt, and the Colorado Rivers are the only perennial streams of significance in the State. The individual basin-fill aquifers, which together compose the largest known ground-water reserves, receive little annual recharge and are easily depleted. Nevada is sparsely populated, except for the Las Vegas, the Reno-Sparks, and the Carson City areas, which rely heavily on imported water for public supplies. Although important to the economy of Nevada, agriculture has not been developed to the same degree as in California due, in large part, to a scarcity of water. Some additional ground-water development might be possible in Nevada through prudent management of the basin-fill aquifers and increased utilization of ground water in the little-developed carbonate-rock aquifers that underlie the eastern one-half of the State

  8. Competing ground states of strongly correlated bosons in the Harper-Hofstadter-Mott model

    NASA Astrophysics Data System (ADS)

    Natu, Stefan S.; Mueller, Erich J.; Das Sarma, S.

    2016-06-01

    Using an efficient cluster approach, we study the physics of two-dimensional lattice bosons in a strong magnetic field in the regime where the tunneling is much weaker than the on-site interaction strength. We study both the dilute, hard-core bosons at filling factors much smaller than unity occupation per site and the physics in the vicinity of the superfluid-Mott lobes as the density is tuned away from unity. For hard-core bosons, we carry out extensive numerics for a fixed flux per plaquette ϕ =1 /5 and ϕ =1 /3 . At large flux, the lowest-energy state is a strongly correlated superfluid, analogous to He-4, in which the order parameter is dramatically suppressed, but nonzero. At filling factors ν =1 /2 ,1 , we find competing incompressible states which are metastable. These appear to be commensurate density wave states. For small flux, the situation is reversed and the ground state at ν =1 /2 is an incompressible density wave solid. Here, we find a metastable lattice supersolid phase, where superfluidity and density wave order coexist. We then perform careful numerical studies of the physics near the vicinity of the Mott lobes for ϕ =1 /2 and ϕ =1 /4 . At ϕ =1 /2 , the superfluid ground state has commensurate density wave order. At ϕ =1 /4 , incompressible phases appear outside the Mott lobes at densities n =1.125 and n =1.25 , corresponding to filling fractions ν =1 /2 and 1, respectively. These phases, which are absent in single-site mean-field theory, are metastable and have slightly higher energy than the superfluid, but the energy difference between them shrinks rapidly with increasing cluster size, suggestive of an incompressible ground state. We thus explore the interplay between Mott physics, magnetic Landau levels, and superfluidity, finding a rich phase diagram of competing compressible and incompressible states.

  9. Shape isomerism at N=40: Discovery of a proton intruder state in {sup 67}Co

    SciTech Connect

    Pauwels, D.; Ivanov, O.; Bree, N.; Buescher, J.; Cocolios, T. E.; Gentens, J.; Huyse, M.; Kudryavtsev, Yu.; Raabe, R.; Sawicka, M.; Walle, J. van de; Bergh, P. van den; Duppen, P. van; Korgul, A.; Stefanescu, I.; Walters, W. B.

    2008-10-15

    The nuclear structure of {sup 67}Co has been investigated through {sup 67}Fe {beta} decay. The {sup 67}Fe isotopes were produced at the LISOL facility in proton-induced fission of {sup 238}U and selected using resonant laser ionization combined with mass separation. The application of a new correlation technique unambiguously revealed a 496(33) ms isomeric state in {sup 67}Co at an unexpected low energy of 492 keV. A {sup 67}Co level scheme was deduced. Proposed spin and parities suggest a spherical (7/2{sup -}) {sup 67}Co ground state and a deformed first excited (1/2{sup -}) state at 492 keV, interpreted as a proton 1p-2h prolate intruder state.

  10. Realization of ground-state artificial skyrmion lattices at room temperature

    SciTech Connect

    Gilbert, Dustin A.; Maranville, Brian B.; Balk, Andrew L.; Kirby, Brian J.; Fischer, Peter; Pierce, Daniel T.; Unguris, John; Borchers, Julie A.; Liu, Kai

    2015-10-08

    We report that the topological nature of magnetic skyrmions leads to extraordinary properties that provide new insights into fundamental problems of magnetism and exciting potentials for novel magnetic technologies. Prerequisite are systems exhibiting skyrmion lattices at ambient conditions, which have been elusive so far. We demonstrate the realization of artificial Bloch skyrmion lattices over extended areas in their ground state at room temperature by patterning asymmetric magnetic nanodots with controlled circularity on an underlayer with perpendicular magnetic anisotropy (PMA). Polarity is controlled by a tailored magnetic field sequence and demonstrated in magnetometry measurements. The vortex structure is imprinted from the dots into the interfacial region of the underlayer via suppression of the PMA by a critical ion-irradiation step. In conclusion, the imprinted skyrmion lattices are identified directly with polarized neutron reflectometry and confirmed by magnetoresistance measurements. Our results demonstrate an exciting platform to explore room-temperature ground-state skyrmion lattices.

  11. Phase diagram of quantum critical system via local convertibility of ground state

    PubMed Central

    Liu, Si-Yuan; Quan, Quan; Chen, Jin-Jun; Zhang, Yu-Ran; Yang, Wen-Li; Fan, Heng

    2016-01-01

    We investigate the relationship between two kinds of ground-state local convertibility and quantum phase transitions in XY model. The local operations and classical communications (LOCC) convertibility is examined by the majorization relations and the entanglement-assisted local operations and classical communications (ELOCC) via Rényi entropy interception. In the phase diagram of XY model, LOCC convertibility and ELOCC convertibility of ground-states are presented and compared. It is shown that different phases in the phase diagram of XY model can have different LOCC or ELOCC convertibility, which can be used to detect the quantum phase transition. This study will enlighten extensive studies of quantum phase transitions from the perspective of local convertibility, e.g., finite-temperature phase transitions and other quantum many-body models. PMID:27381284

  12. Ground state phase transition in the Nilsson mean-field plus standard pairing model

    NASA Astrophysics Data System (ADS)

    Guan, Xin; Xu, Haocheng; Zhang, Yu; Pan, Feng; Draayer, Jerry P.

    2016-08-01

    The ground state phase transition in Nd, Sm, and Gd isotopes is investigated by using the Nilsson mean-field plus standard pairing model based on the exact solutions obtained from the extended Heine-Stieltjes correspondence. The results of the model calculations successfully reproduce the critical phenomena observed experimentally in the odd-even mass differences, odd-even differences of two-neutron separation energy, and the α -decay and double β--decay energies of these isotopes. Since the odd-even effects are the most important signatures of pairing interactions in nuclei, the model calculations yield microscopic insight into the nature of the ground state phase transition manifested by the standard pairing interaction.

  13. Ground state of a hydrogen ion molecule immersed in an inhomogeneous electron gas

    NASA Astrophysics Data System (ADS)

    Diaz-Valdes, J.; Gutierrez, F. A.; Matamala, A. R.; Denton, C. D.; Vargas, P.; Valdes, J. E.

    2007-01-01

    In this work we have calculated the ground state energy of the hydrogen molecule, H2+, immersed in the highly inhomogeneous electron gas around a metallic surface within the local density approximation. The molecule is perturbed by the electron density of a crystalline surface of Au <1 0 0> with the internuclear axis parallel to the surface. The surface spatial electron density is calculated through a linearized band structure method (LMTO-DFT). The ground state of the molecule-ion was calculated using the Born-Oppenheimer approximation for a fixed-ion while the screening effects of the inhomogeneous electron gas are depicted by a Thomas-Fermi like electrostatic potential. We found that within our model the molecular ion dissociates at the critical distance of 2.35 a.u. from the first atomic layer of the solid.

  14. Electromagnetically-induced-transparency ground-state cooling of long ion strings

    NASA Astrophysics Data System (ADS)

    Lechner, Regina; Maier, Christine; Hempel, Cornelius; Jurcevic, Petar; Lanyon, Ben P.; Monz, Thomas; Brownnutt, Michael; Blatt, Rainer; Roos, Christian F.

    2016-05-01

    Electromagnetically-induced-transparency (EIT) cooling is a ground-state cooling technique for trapped particles. EIT offers a broader cooling range in frequency space compared to more established methods. In this work, we experimentally investigate EIT cooling in strings of trapped atomic ions. In strings of up to 18 ions, we demonstrate simultaneous ground-state cooling of all radial modes in under 1 ms. This is a particularly important capability in view of emerging quantum simulation experiments with large numbers of trapped ions. Our analysis of the EIT cooling dynamics is based on a technique enabling single-shot measurements of phonon numbers, by rapid adiabatic passage on a vibrational sideband of a narrow transition.

  15. Enhancement of Vibronic and Ground-State Vibrational Coherences in 2D Spectra of Photosynthetic Complexes

    PubMed Central

    Chenu, Aurélia; Christensson, Niklas; Kauffmann, Harald F.; Mančal, Tomáš

    2013-01-01

    A vibronic-exciton model is applied to investigate the recently proposed mechanism of enhancement of coherent oscillations due to mixing of electronic and nuclear degrees of freedom. We study a dimer system to elucidate the role of resonance coupling, site energies, vibrational frequency and energy disorder in the enhancement of vibronic-exciton and ground-state vibrational coherences, and to identify regimes where this enhancement is significant. For a heterodimer representing two coupled bachteriochloropylls of the FMO complex, long-lived vibronic coherences are found to be generated only when the frequency of the mode is in the vicinity of the electronic energy difference. Although the vibronic-exciton coherences exhibit a larger initial amplitude compared to the ground-state vibrational coherences, we conclude that, due to the dephasing of the former, both type of coherences have a similar magnitude at longer population time. PMID:23778355

  16. The theoretical study of the ground-state polar chromium-alkali-metal-atom molecules

    NASA Astrophysics Data System (ADS)

    Deng, Lijuan; Gou, Dezhi; Chai, Junshuai

    2016-04-01

    Potential energy curves and permanent dipole moments of the 6Σ+ and 8Σ+ ground state of CrX (X = Li, Na, K, Rb and Cs) are calculated by employing the complete active space self-consistent field (CASSCF) and multi-reference configuration interaction (MRCI) methods. The spectroscopic constants for the 6Σ+ and 8Σ+ ground state of these molecules are calculated. Moreover, CrK, CrRb and CrCs molecules with large values of permanent dipole moment (CrK: 5.553 D, CrRb: 6.341 D and CrCs: 6.731 D) at the equilibrium bond distance are potentially interesting candidates for ultracold anisotropic long-range dipole-dipole interactions and many-body physics studies.

  17. Realization of ground-state artificial skyrmion lattices at room temperature

    PubMed Central

    Gilbert, Dustin A.; Maranville, Brian B.; Balk, Andrew L.; Kirby, Brian J.; Fischer, Peter; Pierce, Daniel T.; Unguris, John; Borchers, Julie A.; Liu, Kai

    2015-01-01

    The topological nature of magnetic skyrmions leads to extraordinary properties that provide new insights into fundamental problems of magnetism and exciting potentials for novel magnetic technologies. Prerequisite are systems exhibiting skyrmion lattices at ambient conditions, which have been elusive so far. Here, we demonstrate the realization of artificial Bloch skyrmion lattices over extended areas in their ground state at room temperature by patterning asymmetric magnetic nanodots with controlled circularity on an underlayer with perpendicular magnetic anisotropy (PMA). Polarity is controlled by a tailored magnetic field sequence and demonstrated in magnetometry measurements. The vortex structure is imprinted from the dots into the interfacial region of the underlayer via suppression of the PMA by a critical ion-irradiation step. The imprinted skyrmion lattices are identified directly with polarized neutron reflectometry and confirmed by magnetoresistance measurements. Our results demonstrate an exciting platform to explore room-temperature ground-state skyrmion lattices. PMID:26446515

  18. Electron momentum spectroscopy of aniline taking account of nuclear dynamics in the initial electronic ground state

    NASA Astrophysics Data System (ADS)

    Farasat, M.; Shojaei, S. H. R.; Morini, F.; Golzan, M. M.; Deleuze, M. S.

    2016-04-01

    The electronic structure, electron binding energy spectrum and (e, 2e) momentum distributions of aniline have been theoretically predicted at an electron impact energy of 1.500 keV on the basis of Born-Oppenheimer molecular dynamical simulations, in order to account for thermally induced nuclear motions in the initial electronic ground state. Most computed momentum profiles are rather insensitive to thermally induced alterations of the molecular structure, with the exception of the profiles corresponding to two ionization bands at electron binding energies comprised between ˜10.0 and ˜12.0 eV (band C) and between ˜16.5 and ˜20.0 eV (band G). These profiles are found to be strongly influenced by nuclear dynamics in the electronic ground state, especially in the low momentum region. The obtained results show that thermal averaging smears out most generally the spectral fingerprints that are induced by nitrogen inversion.

  19. Prospects for the formation of ultracold polar ground state KCs molecules via an optical process

    NASA Astrophysics Data System (ADS)

    Borsalino, D.; Vexiau, R.; Aymar, M.; Luc-Koenig, E.; Dulieu, O.; Bouloufa-Maafa, N.

    2016-03-01

    Heteronuclear alkali-metal dimers represent the class of molecules of choice for creating samples of ultracold molecules exhibiting an intrinsic large permanent electric dipole moment. Among them, the KCs molecule, with a permanent dipole moment of 1.92 Debye still remains to be observed in ultracold conditions. Based on spectroscopic studies available in the literature completed by accurate quantum chemistry calculations, we propose several optical coherent schemes to create ultracold bosonic and fermionic KCs molecules in their absolute rovibrational ground level, starting from a weakly bound level of their electronic ground state manifold. The processes rely on the existence of convenient electronically excited states allowing an efficient stimulated Raman adiabatic transfer of the level population.

  20. Phase diagram of quantum critical system via local convertibility of ground state

    NASA Astrophysics Data System (ADS)

    Liu, Si-Yuan; Quan, Quan; Chen, Jin-Jun; Zhang, Yu-Ran; Yang, Wen-Li; Fan, Heng

    2016-07-01

    We investigate the relationship between two kinds of ground-state local convertibility and quantum phase transitions in XY model. The local operations and classical communications (LOCC) convertibility is examined by the majorization relations and the entanglement-assisted local operations and classical communications (ELOCC) via Rényi entropy interception. In the phase diagram of XY model, LOCC convertibility and ELOCC convertibility of ground-states are presented and compared. It is shown that different phases in the phase diagram of XY model can have different LOCC or ELOCC convertibility, which can be used to detect the quantum phase transition. This study will enlighten extensive studies of quantum phase transitions from the perspective of local convertibility, e.g., finite-temperature phase transitions and other quantum many-body models.

  1. Phase diagram of quantum critical system via local convertibility of ground state.

    PubMed

    Liu, Si-Yuan; Quan, Quan; Chen, Jin-Jun; Zhang, Yu-Ran; Yang, Wen-Li; Fan, Heng

    2016-01-01

    We investigate the relationship between two kinds of ground-state local convertibility and quantum phase transitions in XY model. The local operations and classical communications (LOCC) convertibility is examined by the majorization relations and the entanglement-assisted local operations and classical communications (ELOCC) via Rényi entropy interception. In the phase diagram of XY model, LOCC convertibility and ELOCC convertibility of ground-states are presented and compared. It is shown that different phases in the phase diagram of XY model can have different LOCC or ELOCC convertibility, which can be used to detect the quantum phase transition. This study will enlighten extensive studies of quantum phase transitions from the perspective of local convertibility, e.g., finite-temperature phase transitions and other quantum many-body models. PMID:27381284

  2. Universal Wave-Function Overlap and Universal Topological Data from Generic Gapped Ground States.

    PubMed

    Moradi, Heidar; Wen, Xiao-Gang

    2015-07-17

    We propose a way-universal wave-function overlap-to extract universal topological data from generic ground states of gapped systems in any dimensions. Those extracted topological data might fully characterize the topological orders with a gapped or gapless boundary. For nonchiral topological orders in (2+1)D, these universal topological data consist of two matrices S and T, which generate a projective representation of SL(2,Z) on the degenerate ground state Hilbert space on a torus. For topological orders with a gapped boundary in higher dimensions, these data constitute a projective representation of the mapping class group MCG(M^{d}) of closed spatial manifold M^{d}. For a set of simple models and perturbations in two dimensions, we show that these quantities are protected to all orders in perturbation theory. These overlaps provide a much more powerful alternative to the topological entanglement entropy and allow for more efficient numerical implementations. PMID:26230815

  3. Theoretical study on the ground electronic state of FO(+) and FO(-).

    PubMed

    Li, Song; Zheng, Rui; Chen, Shan-Jun; Zhu, De-Sheng; Fan, Qun-Chao

    2014-12-10

    The equilibrium structures of the ground electronic states for molecular ions FO(+) and FO(-) have been calculated by using the multi-reference configuration interaction method in combination with the augmented correlation-consistent basis sets up through sextuple zeta quality. The equilibrium parameters, potential energy curves and spectroscopic constants are derived for both species. The extrapolation schemes are adopted to estimate the complete basis set limit. The corrections of core-valence correlation and relativistic effect are included to improve the accuracy of the calculations. The vibrational energy levels as well as rotational and centrifugal distortion constants of the ground electronic states for both systems are obtained by solving the radial Schrödinger equation of nuclear motion. The computations on neutral FO radical are also carried out to investigate the ionization potentials and the electron affinities. PMID:24996216

  4. Molecular imaging of hemoglobin using ground state recovery pump-probe optical coherence tomography

    NASA Astrophysics Data System (ADS)

    Applegate, Brian E.; Izatt, Joseph A.

    2007-02-01

    We have undertaken an effort to further develop ground state recovery Pump-Probe Optical Coherence Tomograpy (gsrPPOCT) to specifically target and measure 3-D images of hemoglobin concentration with the goals of mapping tissue vasculature, total hemoglobin, and hemoglobin oxygen saturation. As a first step toward those goals we have measured the gsrPPOCT signal from the hemoglobin in the filament arteries of a zebra danio fish. We have further processed the resulting signal to extract a qualitative map of the hemoglobin concentration. We have also demonstrated the potential to use ground state recovery times to differentiate between two chromophores which may prove to be an effective tool for differentiating between oxy and deoxy hemoglobin.

  5. Realization of ground-state artificial skyrmion lattices at room temperature

    DOE PAGESBeta

    Gilbert, Dustin A.; Maranville, Brian B.; Balk, Andrew L.; Kirby, Brian J.; Fischer, Peter; Pierce, Daniel T.; Unguris, John; Borchers, Julie A.; Liu, Kai

    2015-10-08

    We report that the topological nature of magnetic skyrmions leads to extraordinary properties that provide new insights into fundamental problems of magnetism and exciting potentials for novel magnetic technologies. Prerequisite are systems exhibiting skyrmion lattices at ambient conditions, which have been elusive so far. We demonstrate the realization of artificial Bloch skyrmion lattices over extended areas in their ground state at room temperature by patterning asymmetric magnetic nanodots with controlled circularity on an underlayer with perpendicular magnetic anisotropy (PMA). Polarity is controlled by a tailored magnetic field sequence and demonstrated in magnetometry measurements. The vortex structure is imprinted from themore » dots into the interfacial region of the underlayer via suppression of the PMA by a critical ion-irradiation step. In conclusion, the imprinted skyrmion lattices are identified directly with polarized neutron reflectometry and confirmed by magnetoresistance measurements. Our results demonstrate an exciting platform to explore room-temperature ground-state skyrmion lattices.« less

  6. RKKY Interaction and the Nature of the Ground State of Double Dots in Parallel

    SciTech Connect

    Kulkarni, M.; Konik, R.

    2011-06-23

    We argue through a combination of slave-boson mean-field theory and the Bethe ansatz that the ground state of closely spaced double quantum dots in parallel coupled to a single effective channel are Fermi liquids. We do so by studying the dots conductance, impurity entropy, and spin correlation. In particular, we find that the zero-temperature conductance is characterized by the Friedel sum rule, a hallmark of Fermi-liquid physics, and that the impurity entropy vanishes in the limit of zero temperature, indicating that the ground state is a singlet. This conclusion is in opposition to a number of numerical renormalization-group studies. We suggest a possible reason for the discrepancy.

  7. Proteolytic Equilibria of Vanillic Acid in the Ground and Excited States

    NASA Astrophysics Data System (ADS)

    Vusovich, O. V.; Tchaikovskaya, O. N.; Sokolova, I. V.; Vasil‧eva, N. Yu.

    2016-03-01

    Proteolytic equilibria of vanillic acid in aqueous solutions were studied using electronic spectroscopy. The pH ranges for anionic, dianionic, cationic, and neutral forms of vanillic acid in the ground and excited states were determined. The electron density distribution on atoms in the proteolytic forms was determined using quantum-chemistry methods. The anion formed as a result of dissociation of the carboxylic acid. The dianion formed in the presence of two and more equivalents of alkali as a result of proton loss from the phenol and carboxylic acid. The vanillic acid cation formed via protonation of the carbonyl oxygen. Differences in spectral features of the proteolytic forms in the ground and excited states were observed.

  8. Crystalline ground states in Polyakov-loop extended Nambu-Jona-Lasinio models

    NASA Astrophysics Data System (ADS)

    Braun, Jens; Karbstein, Felix; Rechenberger, Stefan; Roscher, Dietrich

    2016-01-01

    Nambu-Jona-Lasinio-type models have been used extensively to study the dynamics of the theory of the strong interaction at finite temperature and quark chemical potential on a phenomenological level. In addition to these studies, which are often performed under the assumption that the ground state of the theory is homogeneous, searches for the existence of crystalline phases associated with inhomogeneous ground states have attracted a lot of interest in recent years. In this work, we study the Polyakov-loop extended Nambu-Jona-Lasinio model using two prominent parametrizations and find that the existence of a crystalline phase is stable against a variation of the parametrization of the underlying Polyakov loop potential.

  9. Electron propagator calculations on the ground and excited states of C60(-).

    PubMed

    Zakrzewski, V G; Dolgounitcheva, O; Ortiz, J V

    2014-09-01

    Electron propagator calculations in two approximations—the third-order algebraic, diagrammatic construction and the outer valence Green’s function (OVGF)—have been performed on the vertical electron affinities of C60 and the vertical electron detachment energies of several states of C60(–) with a variety of basis sets. These calculations predict bound (2)T1u and (2)T1g anions, but fail to produce (2)T2u or (2)Hg anionic states that are more stable than ground-state C60. The electron affinity for the (2)Ag state is close to zero, but no definitive result on its sign has been obtained. This state may be a resonance or marginally bound anion. The OVGF prediction for the vertical electron detachment energy of (2)T1u C60(–), 2.63 eV, is in excellent agreement with recent anion photoelectron spectra. PMID:24813804

  10. Rotational Spectroscopy on Ultracold 23 Na40 K Ground State Molecules

    NASA Astrophysics Data System (ADS)

    Will, Sebastian; Park, Jee Woo; Yan, Zoe; Loh, Huanqian; Zwierlein, Martin

    2016-05-01

    Ultracold molecules with controllable dipolar long-range interactions will open up new routes for quantum simulation and the creation of novel states of matter. In particular, the molecules' rich internal degrees of freedom allow for versatile control of intermolecular interactions by applying static electric and microwave fields. Starting from an ultracold, spin-polarized ensemble of trapped fermionic 23 Na40 K molecules in the absolute ground state, we perform microwave spectroscopy on the first rotationally excited state for a range of magnetic and electric fields. Extracting the rotational and hyperfine coupling constants, we comprehensively understand the observed spectra. Following the coherent transfer of the entire ensemble of chemically stable 23 Na40 K molecules to the first rotationally excited state, we observe a lifetime of more than 3 sec, comparable to the lifetime in the rovibrational ground state. The collisional stability of excited rotational states opens up intriguing prospects for the control of intermolecular van-der-Waals interactions via electric fields.

  11. Ground- and excited-state electronic structure of an iron-containing molecular spin photoswitch

    NASA Astrophysics Data System (ADS)

    Rodriguez, Jorge H.

    2005-09-01

    The electronic structure of the cation of [Fe(ptz)6](BF4)2, a prototype of a class of complexes that display light-induced excited-state spin trapping (LIESST), has been investigated by time-independent and time-dependent density-functional theories. The density of states of the singlet ground state reveals that the highest occupied orbitals are metal centered and give rise to a low spin configuration Fe2+(3dxy↑↓3dxz↑↓3dyz↑↓) in agreement with experiment. Upon excitation with light in the 2.3-3.3eV range, metal-centered spin-allowed but parity-forbidden ligand field (LF) antibonding states are populated which, in conjunction with electron-phonon coupling, explain the experimental absorption intensities. The computed excitation energies are in excellent agreement with experiment. Contrary to simpler models we show that the LF absorption bands, which are important for LIESST, do not originate in transitions from the ground to a single excited state but from transitions to manifolds of nearly degenerate excited singlets. Consistent with crystallography, population of the LF states promotes a drastic dilation of the ligand cage surrounding the iron.

  12. The millimeter and submillimeter laboratory spectrum of methyl formate in its ground symmetric torsional state

    NASA Technical Reports Server (NTRS)

    Plummer, G. M.; Herbst, E.; De Lucia, F.; Blake, G. A.

    1984-01-01

    Over 200 rotational lines of methyl formate in its ground (v sub t = 0), symmetric (A) torsional state have been measured in the frequency range 140-550 GHz. Analysis of these and lower frequency transitions permits accurate prediction (below 0.1 MHz) of over 10,000 transitions at frequencies below 600 GHz with angular momentum J lower than 50. The measured spectral lines have permitted identification of over 100 new methyl formate lines in Orion.

  13. Diagrammatic perturbation theory applied to the ground state of the water molecule

    NASA Technical Reports Server (NTRS)

    Silver, D. M.; Wilson, S.

    1977-01-01

    The diagrammatic many-body perturbation theory is applied to the ground state of the water molecule within the algebraic approximation. Using four different basis sets, the total energy, the equilibrium OH bond length, and the equilibrium HOH bond angle are examined. The latter is found to be a particularly sensitive test of the convergence of perturbation expansions. Certain third-order results, which incorporate all two-, three-, and four-body effects, show evidence of good convergence properties.

  14. Relativistic corrections to the ground-state energy of the positronium molecule

    SciTech Connect

    Bubin, Sergiy; Stanke, Monika; Kedziera, Dariusz; Adamowicz, Ludwik

    2007-06-15

    The leading-order relativistic corrections to the ground-state energy of the positronium molecule (Ps{sub 2}) have been computed within the framework of perturbation theory. As the zero-order wave function we used a highly accurate nonrelativistic variational expansion in terms of 6000 explicitly correlated Gaussians that yielded the lowest variational upper bound for this system to date. We also report some expectation values representing the properties of Ps{sub 2}.

  15. Resolution of nuclear ground and isomeric states by a Penning trap mass spectrometer

    SciTech Connect

    Bollen, G.; Kluge, H.; Koenig, M.; Otto, T.; Savard, G.; Stolzenberg, H. ); Moore, R.B.; Rouleau, G. ); Audi, G. )

    1992-12-01

    Ground and isomeric states of a nucleus have been resolved for the first time by mass spectrometry. Measurements on [sup 78]Rb[sup [ital m],][ital g] and [sup 84]Rb[sup [ital m],][ital g] were performed using a tandem Penning trap mass spectrometer on-line with the isotope separator ISOLDE/CERN. The effects of ion-ion interaction were investigated for two ion species differing in mass and stored simultaneously in the trap.

  16. A simple, radially correlated ground state wavefunction for two electron atoms.

    NASA Technical Reports Server (NTRS)

    Altick, P. L.

    1972-01-01

    A one parameter function is presented as an approximation to the ground state wavefunction of the two electron radial hamiltonian. The parameter may be fixed by a nonvariational criterion. The resulting expectation value of the radial hamiltonian differs from its exact eigenvalue by about 2 parts in 3000 for helium while the 'local energy' never differs by more than 10% from the exact value over the entire r1-r2 plane. The cases Z = 1 and Z = 3 are also investigated.

  17. Fast ground state manipulation of neutral atoms in microscopic optical traps.

    PubMed

    Yavuz, D D; Kulatunga, P B; Urban, E; Johnson, T A; Proite, N; Henage, T; Walker, T G; Saffman, M

    2006-02-17

    We demonstrate Rabi flopping at MHz rates between ground hyperfine states of neutral 87Rb atoms that are trapped in two micron sized optical traps. Using tightly focused laser beams we demonstrate high fidelity, site specific Rabi rotations with cross talk on neighboring sites separated by 8 microm at the level of 10(-3). Ramsey spectroscopy is used to measure a dephasing time of 870 micros, which is approximately 5000 longer than the time for a pi/2 pulse. PMID:16605988

  18. The role of correlation in the ground state energy of confined helium atom

    SciTech Connect

    Aquino, N.

    2014-01-14

    We analyze the ground state energy of helium atom confined by spherical impenetrable walls, and the role of the correlation energy in the total energy. The confinement of an atom in a cavity is one way in which we can model the effect of the external pressure on an atom. The calculations of energy of the system are carried out by the variational method. We find that the correlation energy remains almost constant for a range values of size of the boxes analyzed.

  19. On the ground state energy of the δ-function Bose gas

    NASA Astrophysics Data System (ADS)

    Tracy, Craig A.; Widom, Harold

    2016-07-01

    The weak coupling asymptotics, to order {(c/ρ )}2, of the ground state energy of the delta-function Bose gas is derived. Here 2c≥slant 0 is the delta-function potential amplitude and ρ the density of the gas in the thermodynamic limit. The analysis uses the electrostatic interpretation of the Lieb–Liniger integral equation. Dedicated to Professor Tony Guttmann on the occasion of his 70th birthday.

  20. Reactions of ground-state and electronically excited sodium atoms with methyl bromide and molecular chlorine

    SciTech Connect

    Weiss, P.S.; Mestdagh, J.M.; Schmidt, H.; Covinsky, M.H.; Lee, Y.T. )

    1991-04-18

    The reactions of ground- and excited-state Na atoms with methyl bromide (CH{sub 3}Br) and chlorine (Cl{sub 2}) have been studied by using the crossed molecular beams method. For both reactions, the cross sections increase with increasing electronic energy. The product recoil energies change little with increasing Na electronic energy, implying that the product internal energies increase substantially. For Na + CH{sub 3}Br, the steric angle of acceptance opens with increasing electronic energy.

  1. Ground State of the Universe and the Cosmological Constant. A Nonperturbative Analysis

    NASA Astrophysics Data System (ADS)

    Husain, Viqar; Qureshi, Babar

    2016-02-01

    The physical Hamiltonian of a gravity-matter system depends on the choice of time, with the vacuum naturally identified as its ground state. We study the expanding Universe with scalar field in the volume time gauge. We show that the vacuum energy density computed from the resulting Hamiltonian is a nonlinear function of the cosmological constant and time. This result provides a new perspective on the relation between time, the cosmological constant, and vacuum energy.

  2. Halogenated benzene radical cations and ground state degeneracy splitting by asymmetric substitution

    USGS Publications Warehouse

    Bondybey, V.E.; Vaughn, C.R.; Miller, T.A.; English, J.H.; Shiley, R.H.

    1981-01-01

    The absorption and laser induced fluorescence of several halogenated benzene radical cations were studied in solid Ne matrices. The spectra of 1,2,4-trifluorobenzene, l,3-dichloro-5-fluorobenzene, and l-chloro-3,5- difluorobenzene radical cations are observed and analyzed. Studies of fluorescence polarization and a photoselection technique were used to examine the splitting of the degeneracy of the benzene cation ground state by asymmetric subsitution. ?? 1981 American Institute of Physics.

  3. Scattering theory and ground-state energy of Dirac fermions in graphene with two Coulomb impurities

    NASA Astrophysics Data System (ADS)

    Klöpfer, Denis; De Martino, Alessandro; Matrasulov, Davron U.; Egger, Reinhold

    2014-08-01

    We study the physics of Dirac fermions in a gapped graphene monolayer containing two Coulomb impurities. For the case of equal impurity charges, we discuss the ground-state energy using the linear combination of atomic orbitals (LCAO) approach. For opposite charges of the Coulomb centers, an electric dipole potential results at large distances. We provide a nonperturbative analysis of the corresponding low-energy scattering problem.

  4. Classification of ground states and normal modes for phase-frustrated multicomponent superconductors

    NASA Astrophysics Data System (ADS)

    Weston, Daniel; Babaev, Egor

    2013-12-01

    We classify ground states and normal modes for n-component superconductors with frustrated intercomponent Josephson couplings, focusing on n=4. The results should be relevant not only to multiband superconductors, but also to Josephson-coupled multilayers and Josephson-junction arrays. It was recently discussed that three-component superconductors can break time-reversal symmetry as a consequence of phase frustration. We discuss how to classify frustrated superconductors with an arbitrary number of components. Although already for the four-component case there are a large number of different combinations of phase-locking and phase-antilocking Josephson couplings, we establish that there are a much smaller number of equivalence classes where properties of frustrated multicomponent superconductors can be mapped to each other. This classification is related to the graph-theoretical concept of Seidel switching. Numerically, we calculate ground states, normal modes, and characteristic length scales for the four-component case. We report conditions of appearance of new accidental continuous ground-state degeneracies.

  5. Tunable Splitting of the Ground-State Degeneracy in Quasi-One-Dimensional Parafermion Systems

    NASA Astrophysics Data System (ADS)

    Chen, Chun; Burnell, F. J.

    2016-03-01

    Systems with topologically protected ground-state degeneracies are currently of great interest due to their potential applications in quantum computing. In practice, this degeneracy is never exact, and the magnitude of the ground-state degeneracy splitting imposes constraints on the time scales over which information is topologically protected. In this Letter, we use an instanton approach to evaluate the splitting of topological ground-state degeneracy in quasi-1D systems with parafermion zero modes, in the specific case where parafermions are realized by inducing a superconducting gap in pairs of fractional quantum Hall edges. We show that, like 1D topological superconducting wires, this splitting has an oscillatory dependence on the chemical potential, which arises from an intrinsic Berry phase that produces interference between distinct instanton tunneling events. These Berry phases can be mapped to chiral phases in a (dual) quantum clock model using a Fradkin-Kadanoff transformation. Comparing our low-energy spectrum to that of phenomenological parafermion models allows us to evaluate the real and imaginary parts of the hopping integral between adjacent parafermionic zero modes as functions of the chemical potential.

  6. Ground beetles (Coleoptera, Carabidae) of the Hanford Nuclear Site in south-central Washington State

    PubMed Central

    Looney, Chris; Zack, Richard S.; LaBonte, James R.

    2014-01-01

    Abstract In this paper we report on ground beetles (Coleoptera: Carabidae) collected from the Hanford Nuclear Reservation and Hanford National Monument (together the Hanford Site), which is located in south-central Washington State. The Site is a relatively undisturbed relict of the shrub-steppe habitat present throughout much of the western Columbia Basin before the westward expansion of the United States. Species, localities, months of capture, and capture method are reported for field work conducted between 1994 and 2002. Most species were collected using pitfall traps, although other capture methods were employed. Trapping results indicate the Hanford Site supports a diverse ground beetle community, with over 90% of the 92 species captured native to North America. Four species collected during the study period are newly recorded for Washington State: Bembidion diligens Casey, Calosoma obsoletum Say, Pseudaptinus rufulus (LeConte), and Stenolophus lineola (Fabricius). Based on these data, the Site maintains a diverse ground beetle fauna and, due to its size and diversity of habitats, is an important repository of shrub-steppe biodiversity. PMID:24715791

  7. Electron transfer in the quenching of protonated triplet thionine and methylene blue by ground state thionine

    SciTech Connect

    Kamat, P.V.; Lichtin, N.N.

    1981-01-01

    Use of thiazine dyes, e.g., thionine and methylene blue, in the conversion of light energy into electrical energy has been studied extensively in recent years. Despite continuing efforts to improve the performance of photogalvanic cells, the highest reported engineering efficiency for photogalvanic conversion of sunlight into electricity is still less than 0.1%. One of the proposed steps to increase efficiency is to employ high concentrations of light-absorbing dye, e.g., 0.1 M. However, use of such high concentrations of dye may lead to wastage of absorbed quantum energy via a variety of processes, one of which is quenching of triplet dye by ground-state dye. A study of such ground-state quenching of protonated triplet methylene blue, /sup 3/MBH/sup 2 +/, with efficiency of net electron transfer in quenching, F/sub 1/, less than 0.5 was reported previously. Quenching without net electron-transfer inevitably reduces the conversion efficiency of photogalvanic cells. The results of a laser flash-photolytic, kinetic spectrometric study of kinetics and mechanism of quenching of protonated triplet thionine, /sup 3/TH/sub 2//sup 2 +/, and /sup 3/MBH/sup 2 +/ by ground-state thionine, TH/sup +/, in water, aqueous CH/sub 3/CN and aqueous ethanol are presented.

  8. Capping spheres with scarry crystals: Organizing principles of multi-dislocation, ground-state patterns

    NASA Astrophysics Data System (ADS)

    Azadi, Amir; Grason, Gregory M.

    2014-03-01

    Predicting the ground state ordering of curved crystals remains an unsolved, century-old challenge, beginning with the classic Thomson problem to more recent studies of particle-coated droplets. We study the structural features and underlying principles of multi-dislocation ground states of a crystalline cap adhered to a spherical substrate. In the continuum limit, vanishing lattice spacing, a --> 0 , dislocations proliferate and we show that ground states approach a characteristic sequence of patterns of n-fold radial grain boundary ``scars,'' extending from the boundary and terminating in the bulk. A combination of numerical and asymptotic analysis reveals that energetic hierarchy gives rise to a structural hierarchy, whereby the number of dislocation and scars diverge as a --> 0 while the scar length and number of dislocations per scar become remarkably independent of lattice spacing. We show the that structural hierarchy remains intact when n-fold symmetry becomes unstable to polydispersed forked-scar morphologies. We expect this analysis to resolve previously open questions about the optimal symmetries of dislocation patterns in Thomson-like problems, both with and without excess 5-fold defects.

  9. Exact multielectronic ground-states for interacting disordered systems in two-dimensions.

    NASA Astrophysics Data System (ADS)

    Gulacsi, Zsolt

    2004-03-01

    We report exact multielectronic ground-states dependent on electron concentration for quantum mechanical 2D disordered two-band type many body models in the presence of disordered hoppings and disordered repulsive finite Hubbard interactions, in fixed lattice topology which is considered provided by Bravais lattices. The explicitly given exact ground-states lose their eigenfunction character for independent electron approximation, perturbatively are not connected to the non-interacting but disordered case, and describe a localization-delocalization transition driven by the electron concentration, being highly degenerated and paramagnetic. The localized phase emerges at 1/4 band filling, and the delocalization occurs below this concentration value. The deduction is based on a positive semidefinite operator technique which has been applied by us in the exact study of the ground-states of the periodic Anderson model in 2D (see for example PRB64,045118,(2001); PRB66,165109,(2002)) and 3D (PRL91,186401(2003)), the procedure being made applicable for disordered systems as well (cond-mat/0311378).

  10. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering

    NASA Astrophysics Data System (ADS)

    Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Såthe, Conny; Miedema, Piter S.; Techert, Simone; Strocov, Vladimir N.; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Föhlisch, Alexander

    2016-01-01

    Thermally driven chemistry as well as materials’ functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.

  11. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering.

    PubMed

    Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Såthe, Conny; Miedema, Piter S; Techert, Simone; Strocov, Vladimir N; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Föhlisch, Alexander

    2016-01-01

    Thermally driven chemistry as well as materials' functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future. PMID:26821751

  12. Candidates for long-lived high-K ground states in superheavy nuclei

    NASA Astrophysics Data System (ADS)

    Jachimowicz, P.; Kowal, M.; Skalski, J.

    2015-10-01

    On the basis of systematic calculations for 1364 heavy and superheavy (SH) nuclei, including odd systems, we have found a few candidates for high-K ground states in superheavy nuclei. The macroscopic-microscopic model based on the deformed Woods-Saxon single-particle potential that we use offers a reasonable description of SH systems, including known nuclear masses, Qα values, fission barriers, ground state (g.s.) deformations, and super- and hyperdeformed minima in the heaviest nuclei. Exceptionally untypical high-K intruder contents of the g.s. found for some nuclei, accompanied by a sizable excitation of the parent configuration in the daughter, suggest a dramatic hindrance of the α decay. Multidimensional hypercube configuration-constrained calculations of the potential energy surfaces (PESs) for one especially promising candidate, 272Mt, shows a ⋍ 6 MeV increase in the fission barrier above the configuration-unconstrained barrier. There is a possibility that one such high-K ground or low-lying state may be the longest-lived superheavy isotope.

  13. Theoretical and Experimental Photoelectron Spectroscopy Characterization of the Ground State of Thymine Cation.

    PubMed

    Majdi, Youssef; Hochlaf, Majdi; Pan, Yi; Lau, Kai-Chung; Poisson, Lionel; Garcia, Gustavo A; Nahon, Laurent; Al-Mogren, Muneerah Mogren; Schwell, Martin

    2015-06-11

    We report on the vibronic structure of the ground state X̃(2)A″ of the thymine cation, which has been measured using a threshold photoelectron photoion coincidence technique and vacuum ultraviolet synchrotron radiation. The threshold photoelectron spectrum, recorded over ∼0.7 eV above the ionization potential (i.e., covering the whole ground state of the cation) shows rich vibrational structure that has been assigned with the help of calculated anharmonic modes of the ground electronic cation state at the PBE0/aug-cc-pVDZ level of theory. The adiabatic ionization energy has been experimentally determined as AIE = 8.913 ± 0.005 eV, in very good agreement with previous high resolution results. The corresponding theoretical value of AIE = 8.917 eV has been calculated in this work with the explicitly correlated method/basis set (R)CCSD(T)-F12/cc-pVTZ-F12, which validates the theoretical approach and benchmarks its accuracy for future studies of medium-sized biological molecules. PMID:25539153

  14. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering

    PubMed Central

    Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Såthe, Conny; Miedema, Piter S.; Techert, Simone; Strocov, Vladimir N.; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Föhlisch, Alexander

    2016-01-01

    Thermally driven chemistry as well as materials’ functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future. PMID:26821751

  15. Tunable Splitting of the Ground-State Degeneracy in Quasi-One-Dimensional Parafermion Systems.

    PubMed

    Chen, Chun; Burnell, F J

    2016-03-11

    Systems with topologically protected ground-state degeneracies are currently of great interest due to their potential applications in quantum computing. In practice, this degeneracy is never exact, and the magnitude of the ground-state degeneracy splitting imposes constraints on the time scales over which information is topologically protected. In this Letter, we use an instanton approach to evaluate the splitting of topological ground-state degeneracy in quasi-1D systems with parafermion zero modes, in the specific case where parafermions are realized by inducing a superconducting gap in pairs of fractional quantum Hall edges. We show that, like 1D topological superconducting wires, this splitting has an oscillatory dependence on the chemical potential, which arises from an intrinsic Berry phase that produces interference between distinct instanton tunneling events. These Berry phases can be mapped to chiral phases in a (dual) quantum clock model using a Fradkin-Kadanoff transformation. Comparing our low-energy spectrum to that of phenomenological parafermion models allows us to evaluate the real and imaginary parts of the hopping integral between adjacent parafermionic zero modes as functions of the chemical potential. PMID:27015499

  16. High spin polarization and the origin of unique ferromagnetic ground state in CuFeSb

    NASA Astrophysics Data System (ADS)

    Sirohi, Anshu; Singh, Chandan K.; Thakur, Gohil S.; Saha, Preetha; Gayen, Sirshendu; Gaurav, Abhishek; Jyotsna, Shubhra; Haque, Zeba; Gupta, L. C.; Kabir, Mukul; Ganguli, Ashok K.; Sheet, Goutam

    2016-06-01

    CuFeSb is isostructural to the ferro-pnictide and chalcogenide superconductors and it is one of the few materials in the family that are known to stabilize in a ferromagnetic ground state. Majority of the members of this family are either superconductors or antiferromagnets. Therefore, CuFeSb may be used as an ideal source of spin polarized current in spin-transport devices involving pnictide and the chalcogenide superconductors. However, for that the Fermi surface of CuFeSb needs to be sufficiently spin polarized. In this paper we report direct measurement of transport spin polarization in CuFeSb by spin-resolved Andreev reflection spectroscopy. From a number of measurements using multiple superconducting tips we found that the intrinsic transport spin polarization in CuFeSb is high (˜47%). In order to understand the unique ground state of CuFeSb and the origin of large spin polarization at the Fermi level, we have evaluated the spin-polarized band structure of CuFeSb through first principles calculations. Apart from supporting the observed 47% transport spin polarization, such calculations also indicate that the Sb-Fe-Sb angles and the height of Sb from the Fe plane are strikingly different for CuFeSb than the equivalent parameters in other members of the same family thereby explaining the origin of the unique ground state of CuFeSb.

  17. Hubbard models with nearly flat bands: Ground-state ferromagnetism driven by kinetic energy

    NASA Astrophysics Data System (ADS)

    Müller, Patrick; Richter, Johannes; Derzhko, Oleg

    2016-04-01

    We consider the standard repulsive Hubbard model with a flat lowest-energy band for two one-dimensional lattices (diamond chain and ladder) as well as for a two-dimensional lattice (bilayer) at half filling of the flat band. The considered models do not fall in the class of Mielke-Tasaki flat-band ferromagnets, since they do not obey the connectivity conditions. However, the ground-state ferromagnetism can emerge, if the flat band becomes dispersive. To study this kinetic-energy-driven ferromagnetism we use perturbation theory and exact diagonalization of finite lattices. We find as a typical scenario that small and moderate dispersion may lead to a ferromagnetic ground state for sufficiently large on-site Hubbard repulsion U >Uc , where Uc increases monotonically with the acquired bandwidth. However, we also observe for some specific parameter cases, that (i) ferromagnetism appears at already very small Uc, (ii) ferromagnetism does not show up at all, (iii) the critical on-site repulsion Uc is a nonmonotonic function of the bandwidth, or that (iv) a critical bandwidth is needed to open the window for ground-state ferromagnetism.

  18. Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet

    SciTech Connect

    Fu, Mingxuan; Imai, Takahashi; Han, Tian -Heng; Lee, Young S.

    2015-11-06

    Here, the kagome Heisenberg antiferromagnet is a leading candidate in the search for a spin system with a quantum spin-liquid ground state. The nature of its ground state remains a matter of active debate. We conducted oxygen-17 single-crystal nuclear magnetic resonance (NMR) measurements of the spin-1/2 kagome lattice in herbertsmithite [ZnCu3(OH)6Cl2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χkagome, deduced from the oxygen-17 NMR frequency shift, asymptotes to zero below temperatures of 0.03J, where J ~ 200 kelvin is the copper-copper superexchange interaction. Combined with the magnetic field dependence of χkagome that we observed at low temperatures, these results imply that the kagome Heisenberg antiferromagnet has a spin-liquid ground state with a finite gap.

  19. Ground state of two-dimensional Yukawa bosons: Applications to vortex melting

    NASA Astrophysics Data System (ADS)

    Magro, W. R.; Ceperley, D. M.

    1993-07-01

    Using variational and diffusion Monte Carlo techniques, we investigate the ground state of bosons interacting in the continuum through a repulsive modified-Bessel-function potential, ɛK0(r/σ), in two dimensions. This is a simplified model for flux lines in high-Tc superconductors. A pair-product trial function is first optimized so that its variational energy is very near the ground-state energy, then the diffusion Monte Carlo technqiue is used to calculate the exact ground-state energy. As a function of mass and density, we calculate the region of stability of the solid for densities greater than 0.01/σ2. The quantum crystal melts at high density, due to the potential's soft core, and at low density, due to the exponentially weak interaction. Bosons with ħ2/2mσ2ɛ>0.09 do not crystallize at any density. Within the flux model, we compute the flux-line phase diagram for Bi2Sr2CaCu2O8. Pair-correlation functions, structure factors, and Lindemann ratios at melting are also comptued.

  20. Regularly alternating spin- 1 /2 anisotropic XY chains: The ground-state and thermodynamic properties

    NASA Astrophysics Data System (ADS)

    Derzhko, Oleg; Richter, Johannes; Krokhmalskii, Taras; Zaburannyi, Oles'

    2004-06-01

    Using the Jordan-Wigner transformation and continued fractions we calculate rigorously the thermodynamic quantities for the spin- 1 /2 transverse Ising chain with periodically varying intersite interactions and/or on-site fields. We consider in detail the properties of the chains having a period of the transverse field modulation equal to 3. The regularly alternating transverse Ising chain exhibits several quantum phase transition points, where the number of transition points for a given period of alternation strongly depends on the specific set of the Hamiltonian parameters. The critical behavior in most cases is the same as for the uniform chain. However, for certain sets of the Hamiltonian parameters the critical behavior may be changed and weak singularities in the ground-state quantities appear. Due to the regular alternation of the Hamiltonian parameters the transverse Ising chain may exhibit plateaulike steps in the zero-temperature dependence of the transverse magnetization vs transverse field and many-peak temperature profiles of the specific heat. We compare the ground-state properties of regularly alternating transverse Ising and transverse XX chains and of regularly alternating quantum and classical chains. Making use of the corresponding unitary transformations we extend the elaborated approach to the study of thermodynamics of regularly alternating spin- 1 /2 anisotropic XY chains without field. We use the exact expression for the ground-state energy of such a chain of period 2 to discuss how the exchange interaction anisotropy destroys the spin-Peierls dimerized phase.

  1. Radon Content in Ground Waters Drawn From the Metamorphic Basement, Eastern Sao Paulo State, Brazil.

    NASA Astrophysics Data System (ADS)

    Lucas, F. D.; Brenha Ribeiro, F.

    2007-05-01

    Ground water drawn from granitic and metamorphic rocks frequently presents relatively high radioactivity, mostly due to the presence of uranium, radium and radon isotopes. In particular, the radon isotope 222Rn seems to have particular significance since it is normally much enriched in ground water in relation to other uranium series isotopes and is in large disequilibrium with its 226Ra mother isotope. Furthermore, radon is one of the main agents of radioactivity transfer from crust uppermost layers to lower atmosphere. At the eastern part of Sao Paulo State, southeastern Brazil, it outcrops a metamorphic terrain with a large number water bearing fractures that composes a set of fractured aquifers. Ground water is drawn from these aquifers through a large number of relatively shallow drilled wells, mostly less than 200 m deep. The radioactivity, and in particular the radon activity concentration, of the ground waters drawn from this metamorphic terrain has not yet been investigated in detail. The 222Rn activity concentration was measured in ground waters drawn from three wells drilled in different rocks of this metamorphic basement. The first well cuts a K-feldspar bearing granite, the second well cuts a granite- gneiss and the third well cuts a gneiss. The ground water samples were collected between July, 2005 and August, 2006 with a time interval of about one month between sampling campaigns. The year long mean activity concentrations were, (76 +/- 7) Bq/L for the first well, (26 +/- 3) Bq/L for the second well and (39 +/- 4) Bq/L for the third one. The activity concentrations show a time dependent variability that is interpreted as consequence of rain fall seasonal variations.

  2. Long-Lived Triplet Excited States of Bent-Shaped Pentacene Dimers by Intramolecular Singlet Fission.

    PubMed

    Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Mori, Tadashi; Wada, Takehiko; Tkachenko, Nikolai V; Hasobe, Taku

    2016-03-24

    Intramolecular singlet fission (ISF) is a promising photophysical process to construct more efficient light energy conversion systems as one excited singlet state converts into two excited triplet states. Herein we synthesized and evaluated bent-shaped pentacene dimers as a prototype of ISF to reveal intrinsic characters of triplet states (e.g., lifetimes of triplet excited states). In this study, meta-phenylene-bridged TIPS-pentacene dimer (PcD-3Ph) and 2,2'-bipheynyl bridged TIPS-pentacene dimer (PcD-Biph) were newly synthesized as bent-shaped dimers. In the steady-state spectroscopy, absorption and emission bands of these dimers were fully characterized, suggesting the appropriate degree of electronic coupling between pentacene moieties in these dimers. In addition, the electrochemical measurements were also performed to check the electronic interaction between two pentacene moieties. Whereas the successive two oxidation peaks owing to the delocalization were observed in a directly linked-pentacene dimer (PcD) by a single bond, the cyclic voltammograms in PcD-Biph and PcD-3Ph implied the weaker interaction compared to that of p-phenylene-bridged TIPS-pentacene dimer (PcD-4Ph) and PcD. The femtosecond and nanosecond transient absorption spectra clearly revealed the slower ISF process in bent-shaped pentacene dimers (PcD-Biph and PcD-3Ph), more notably, the slower relaxation of the excited triplet states in PcD-Biph and PcD-3Ph. Namely, the quantum yields of triplet states (ΦT) by ISF approximately remain constant (ca. 180-200%) in all dimer systems, whereas the lifetimes of the triplet excited states became much longer (up to 360 ns) in PcD-Biph as compared to PcD-4Ph (15 ns). Additionally, the lifetimes of the corresponding triplet states in PcD-Biph and PcD-3Ph were sufficiently affected by solvent viscosity. In particular, the lifetimes of PcD-Biph triplet state in THF/paraffin (1.0 μs) increased up to approximately three times as compared to that in THF

  3. Magnetic ground state of UCu 2X 2 (X=Si, Ge) from first principles

    NASA Astrophysics Data System (ADS)

    Matar, Samir F.; Siruguri, Vasudeva; Eyert, Volker

    2006-10-01

    The electronic and magnetic structures of UCu 2X 2 germanide and silicide are revisited in view of existing controversy from experimental findings. From self-consistent calculations carried out within the local spin density functional theory using the augmented spherical wave method, the ground state is found to be ferromagnetic within simple and super cell setups. An analysis of the density of states and the chemical bonding shows the dominant role of Cu 2Ge 2-nearly planar like entities within the crystal lattice.

  4. Electronic Structure and Ground State Properties of Non-Magnetic NiPt Systems

    NASA Astrophysics Data System (ADS)

    PAUDYAL, DURGA; MOOKERJEE, ABHIJIT

    We have studied the electronic properties like density of states and band structures and also the ground state properties like formation energy, cohesive energy, bulk modulus and structural energy of NiPt system using the linearized muffin-tin orbital method introduced by Andersen.1,2 In an earlier communication we had argued that both charge neutrality and scalar relativistic corrections are very important for the high concentration of Pt alloys. The calculations here, were, therefore, carried out with charge neutrality as well as with and without scalar relativistic correction for comparison.

  5. Determination of the Magnetic Ground State of a Polycrystalline Compound Based on Susceptibility Measurements

    SciTech Connect

    Fishman, Randy Scott; Miller, Joel S.

    2011-01-01

    The diruthenium compound [Ru2(O2CMe)4]3[Cr(CN)6] contains two interpenetrating sublattices that behave like giant antiferromagnetically-coupled moments with strong anisotropy. The preferred orientations of the total moment of each sublattice are determined from susceptibility measurements on a polycrystalline sample. In agreement with previous mean-field calculations for the magnetic ground state, the fits to the experimental magnetization imply that the sublattice moments are restricted to cubic diagonals rather than the cubic axis or the edge diagonals. The parameterization of the sublattice susceptibility indicates that the sublattice spin states are more distorted when they are aligned antiparallel.

  6. Population of ground-state rotational bands of superheavy nuclei produced in complete fusion reactions

    NASA Astrophysics Data System (ADS)

    Zubov, A. S.; Sargsyan, V. V.; Adamian, G. G.; Antonenko, N. V.

    2011-10-01

    Using the statistical and quantum diffusion approaches, we study the population of ground-state rotational bands of superheavy nuclei produced in the fusion-evaporation reactions 208Pb(48Ca,2n)254No, 206Pb(48Ca,2n)252No, and 204Hg(48Ca,2n)250Fm. By describing the relative intensities of E2 transitions between the rotational states, the entry spin distributions of residual nuclei, and the excitation functions for these reactions, the dependence of fission barriers of shell-stabilized nuclei on angular momentum is investigated.

  7. Generalized Klein-Gordon models: behavior around the ground state condensate.

    PubMed

    Kuetche, Victor K

    2014-07-01

    In this work, we investigate the balance between the nonlinear and linear interaction energy of an interparticle anharmonic system in the vicinity of the ground state condensate. As a result, we find that the nonlinear interaction energy is very significant in the vicinity of each degree of freedom. We address some potential applications of the findings to miscellaneous areas of interests such as soliton theory, hydrodynamics, solid state physics, ferromagnetic and ferroelectric domain walls, condensed matter physics, and particle physics, among others. PMID:25122243

  8. Merit of ground-state electronegativities; a reply to ``Comments on `Introduction to the chemistry of fractionally charged atoms: Electronegativity' ''

    NASA Astrophysics Data System (ADS)

    Lackner, Klaus S.; Zweig, George

    1987-09-01

    The arguments presented in the Comment by Liebman and Huheey are shown to be incorrect. The operational equivalence of Mulliken ground-state electronegativities and Pauling electronegativities is demonstrated for neutral atoms. It is shown that ground-state electronegativities and valence-state electronegativities for both neutral atoms and ions are also operationally equivalent. A single electronegativity scale based on Mulliken ground-state electronegativities may therefore be used for neutral atoms, ions, and fractionally charged atoms, as originally implied in the paper by Lackner and Zweig.

  9. Merit of ground-state electronegativities; a reply to ''Comments on 'Introduction to the chemistry of fractionally charged atoms: Electronegativity' ''

    SciTech Connect

    Lackner, K.S.; Zweig, G.

    1987-09-01

    The arguments presented in the Comment by Liebman and Huheey are shown to be incorrect. The operational equivalence of Mulliken ground-state electronegativities and Pauling electronegativities is demonstrated for neutral atoms. It is shown that ground-state electronegativities and valence-state electronegativities for both neutral atoms and ions are also operationally equivalent. A single electronegativity scale based on Mulliken ground-state electronegativities may therefore be used for neutral atoms, ions, and fractionally charged atoms, as originally implied in the paper by Lackner and Zweig.

  10. Linear Ground-Motions in the Wabash Valley, Central United States: Two Decades of Unconventional Observations

    NASA Astrophysics Data System (ADS)

    Woolery, E. W.

    2012-12-01

    Since the mid-1980's small and moderate-sized earthquakes in the Ohio and Wabash River valleys of the central United States have been digitally recorded by seismographs, called blast monitors, deployed to monitor vibrations from chemical explosions associated with regional mining and quarrying. Because there were relatively few conventional networked strong-motion and broad-band instruments for this area between 1980 and the early 2000's, the more than 200 observations have provided a relatively widespread source of digital earthquake ground motions. Additional deployment of networked instrumentation during the last decade and their numerous recordings of the April 2008, Mt. Carmel, Illinois earthquake sequence have provided the first effective means for comparing free-field blast monitor and conventional network ground-motion observations. The peak ground-motion characteristics for both data sets relative to a common predictive relationship are similar, suggesting that blast monitor observations in the central U.S. compliment conventional network data for moderate-sized (< M5.5) events. Much of the ground motion prediction effort in the central United States has been focused on deep (>> 30 m) alluvial sites, such as those found in the Mississippi embayment. The free-field digital velocity records at blast-monitor sites in the Wabash Valley are more typical of the areas outside the embayment. The ground-motion database is composed of small to moderate size regional earthquakes with a magnitude range between M3 and M5.2; however, the bulk of the observations are associated with the 1987 M4.96 and 2008 M5.2 southeastern Illinois earthquakes, and the 2002 M4.5 southwestern Indiana earthquake. The velocity recordings and ancillary site investigations for the 2008 southeastern Illinois earthquake sequence put the findings into context with the previous observations, and quantify the reduction in ground-motion variability that can be achieved with conventional site

  11. Optical cooling of AlH+ to the rotational ground state

    NASA Astrophysics Data System (ADS)

    Lien, Chien-Yu; Seck, Christopher; Odom, Brian

    2014-05-01

    We demonstrate cooling of the rotational degree of freedom of trapped diatomic molecular ions to the rotational ground state. The molecule of interested, AlH+, is co-trapped and sympathetically cooled with Ba+ to milliKelvin temperatures in its translational degree of freedom. The nearly diagonal Franck-Condon-Factors between the electronic X and A states of AlH+ create semi-closed cycling transitions between the vibrational ground states of X and A states. A spectrally filtered femtosecond laser is used to optically pump the population to the two lowest rotational levels, with opposite parities, in as fast as 100 μs via driving the A-X transition. In addition, a cooling scheme relying on vibrational relaxation brings the population to the N = 0 positive-parity level in as fast as 100 ms. The population distribution among the rotational levels is detected by resonance-enhanced multiphoton dissociation (REMPD) and time-of-flight mass-spectrometry (TOFMS). Although the current two-photon state readout scheme is destructive, a scheme of single-molecule fluorescence detection is also considered.

  12. Modified Magnetic Ground State in Nimn (2) O (4) Thin Films

    SciTech Connect

    Nelson-Cheeseman, B.B.; Chopdekar, R.V.; Iwata, J.M.; Toney, M.F.; Arenholz, E.; Suzuki, Y.; /SLAC

    2012-08-23

    The authors demonstrate the stabilization of a magnetic ground state in epitaxial NiMn{sub 2}O{sub 4} (NMO) thin films not observed in their bulk counterpart. Bulk NMO exhibits a magnetic transition from a paramagnetic phase to a collinear ferrimagnetic moment configuration below 110 K and to a canted moment configuration below 70 K. By contrast, as-grown NMO films exhibit a single magnetic transition at 60 K and annealed films exhibit the magnetic behavior found in bulk. Cation inversion and epitaxial strain are ruled out as possible causes for the new magnetic ground state in the as-grown films. However, a decrease in the octahedral Mn{sup 4+}:Mn{sup 3+} concentration is observed and likely disrupts the double exchange that produces the magnetic state at intermediate temperatures. X-ray magnetic circular dichroism and bulk magnetometry indicate a canted ferrimagnetic state in all samples at low T. Together these results suggest that the collinear ferrimagnetic state observed in bulk NMO at intermediate temperatures is suppressed in the as grown NMO thin films due to a decrease in octahedral Mn{sup 4+}, while the canted moment ferrimagnetic ordering is preserved below 60 K.

  13. Creation of ultracold Sr(2) molecules in the electronic ground state.

    PubMed

    Stellmer, Simon; Pasquiou, Benjamin; Grimm, Rudolf; Schreck, Florian

    2012-09-14

    We report on the creation of ultracold (84)Sr(2) molecules in the electronic ground state. The molecules are formed from atom pairs on sites of an optical lattice using stimulated Raman adiabatic passage (STIRAP). We achieve a transfer efficiency of 30% and obtain 4×10(4) molecules with full control over the external and internal quantum state. STIRAP is performed near the narrow (1)S(0)-(3)P(1) intercombination transition, using a vibrational level of the 1(0(u)(+)) potential as an intermediate state. In preparation of our molecule association scheme, we have determined the binding energies of the last vibrational levels of the 1(0(u)(+)), 1(1(u)) excited-state and the X (1)Σ(g)(+) ground-state potentials. Our work overcomes the previous limitation of STIRAP schemes to systems with magnetic Feshbach resonances, thereby establishing a route that is applicable to many systems beyond alkali-metal dimers. PMID:23005642

  14. Modified magnetic ground state in NiMn2O4 thin films

    SciTech Connect

    Nelson-Cheeseman, B. B.; Chopdekar, R. V.; Toney, M. F.; Arenholz, E.; Suzuki, Y.; Iwata, J.M.

    2010-08-03

    We demonstrate the stabilization of a magnetic ground state in epitaxial NiMn2O4 (NMO) thin films not observed in their bulk counterpart. Bulk NMO exhibits a magnetic transition from a paramagnetic phase to a collinear ferrimagnetic moment configuration below 110 K and to a canted moment configuration below 70 K. By contrast, as-grown NMO films exhibit a single magnetic transition at 60 K and annealed films exhibit the magnetic behavior found in bulk. Cation inversion and epitaxial strain are ruled out as possible causes for the new magnetic ground state in the as-grown films. However, a decrease in the octahedral Mn{sup 4+}:Mn{sup 3+} concentration is observed and likely disrupts the double exchange that produces the magnetic state at intermediate temperatures. X-ray magnetic circular dichroism and bulk magnetometry indicate a canted ferrimagnetic state in all samples at low temperature. Together these results suggest that the collinear ferrimagnetic state observed in bulk NMO at intermediate temperatures is suppressed in the as grown NMO thin films due to a decrease in octahedral Mn{sup 4+} while the canted moment ferrimagnetic ordering is preserved below 60 K.

  15. Observation and Calculation of the Quasibound Rovibrational Levels of the Electronic Ground State of H2+

    NASA Astrophysics Data System (ADS)

    Beyer, Maximilian; Merkt, Frédéric

    2016-03-01

    Although the existence of quasibound rotational levels of the X+ 2Σg+ ground state of H2+ was predicted a long time ago, these states have never been observed. Calculated positions and widths of quasibound rotational levels located close to the top of the centrifugal barriers have not been reported either. Given the role that such states play in the recombination of H (1 s ) and H+ to form H2+, this lack of data may be regarded as one of the largest unknown aspects of this otherwise accurately known fundamental molecular cation. We present measurements of the positions and widths of the lowest-lying quasibound rotational levels of H2+ and compare the experimental results with the positions and widths we calculate using a potential model for the X+ state of H2+ which includes adiabatic, nonadiabatic, relativistic, and radiative corrections to the Born-Oppenheimer approximation.

  16. First Evidence of Shape Coexistence in the 78Ni Region: Intruder 02+ State in 80Ge

    NASA Astrophysics Data System (ADS)

    Gottardo, A.; Verney, D.; Delafosse, C.; Ibrahim, F.; Roussière, B.; Sotty, C.; Roccia, S.; Andreoiu, C.; Costache, C.; Delattre, M.-C.; Deloncle, I.; Etilé, A.; Franchoo, S.; Gaulard, C.; Guillot, J.; Lebois, M.; MacCormick, M.; Marginean, N.; Marginean, R.; Matea, I.; Mihai, C.; Mitu, I.; Olivier, L.; Portail, C.; Qi, L.; Stan, L.; Testov, D.; Wilson, J.; Yordanov, D. T.

    2016-05-01

    The N =48 80Ge nucleus is studied by means of β -delayed electron-conversion spectroscopy at ALTO. The radioactive 80Ga beam is produced through the isotope separation on line photofission technique and collected on a movable tape for the measurement of γ and e- emission following β decay. An electric monopole E 0 transition, which points to a 639(1) keV intruder 02+ state, is observed for the first time. This new state is lower than the 21+ level in 80Ge, and provides evidence of shape coexistence close to one of the most neutron-rich doubly magic nuclei discovered so far, 78Ni. This result is compared with theoretical estimates, helping to explain the role of monopole and quadrupole forces in the weakening of the N =50 gap at Z =32 . The evolution of intruder 02+ states towards 78Ni is discussed.

  17. Equilibrium Topology of the Intermediate State in Type-I Superconductors of Different Shapes

    SciTech Connect

    Ruslan Prozorov

    2007-06-22

    A high-resolution magneto-optical technique was used to analyze flux patterns in the intermediate state of bulk Pb samples of various shapes--cones, hemispheres, and discs. Combined with the measurements of macroscopic magnetization, these results allowed studying the effect of bulk pinning and geometric barrier on the equilibrium structure of the intermediate state. Zero-bulk pinning discs and slabs show hysteretic behavior due to topological hysteresis--flux tubes on penetration and lamellae on flux exit. (Hemi)spheres and cones do not have a geometric barrier and show no hysteresis with flux tubes dominating the intermediate field region in both regimes. It is concluded that flux tubes represent the equilibrium topology of the intermediate state.

  18. Detection of dark states in two-dimensional electronic photon-echo signals via ground-state coherence

    SciTech Connect

    Egorova, Dassia

    2015-06-07

    Several recent experiments report on possibility of dark-state detection by means of so called beating maps of two-dimensional photon-echo spectroscopy [Ostroumov et al., Science 340, 52 (2013); Bakulin et al., Ultrafast Phenomena XIX (Springer International Publishing, 2015)]. The main idea of this detection scheme is to use coherence induced upon the laser excitation as a very sensitive probe. In this study, we investigate the performance of ground-state coherence in the detection of dark electronic states. For this purpose, we simulate beating maps of several models where the excited-state coherence can be hardly detected and is assumed not to contribute to the beating maps. The models represent strongly coupled electron-nuclear dynamics involving avoided crossings and conical intersections. In all the models, the initially populated optically accessible excited state decays to a lower-lying dark state within few hundreds femtoseconds. We address the role of Raman modes and of interstate-coupling nature. Our findings suggest that the presence of low-frequency Raman active modes significantly increases the chances for detection of dark states populated via avoided crossings, whereas conical intersections represent a more challenging task.

  19. Ab initio optimization principle for the ground states of translationally invariant strongly correlated quantum lattice models

    NASA Astrophysics Data System (ADS)

    Ran, Shi-Ju

    2016-05-01

    In this work, a simple and fundamental numeric scheme dubbed as ab initio optimization principle (AOP) is proposed for the ground states of translational invariant strongly correlated quantum lattice models. The idea is to transform a nondeterministic-polynomial-hard ground-state simulation with infinite degrees of freedom into a single optimization problem of a local function with finite number of physical and ancillary degrees of freedom. This work contributes mainly in the following aspects: (1) AOP provides a simple and efficient scheme to simulate the ground state by solving a local optimization problem. Its solution contains two kinds of boundary states, one of which play the role of the entanglement bath that mimics the interactions between a supercell and the infinite environment, and the other gives the ground state in a tensor network (TN) form. (2) In the sense of TN, a novel decomposition named as tensor ring decomposition (TRD) is proposed to implement AOP. Instead of following the contraction-truncation scheme used by many existing TN-based algorithms, TRD solves the contraction of a uniform TN in an opposite way by encoding the contraction in a set of self-consistent equations that automatically reconstruct the whole TN, making the simulation simple and unified; (3) AOP inherits and develops the ideas of different well-established methods, including the density matrix renormalization group (DMRG), infinite time-evolving block decimation (iTEBD), network contractor dynamics, density matrix embedding theory, etc., providing a unified perspective that is previously missing in this fields. (4) AOP as well as TRD give novel implications to existing TN-based algorithms: A modified iTEBD is suggested and the two-dimensional (2D) AOP is argued to be an intrinsic 2D extension of DMRG that is based on infinite projected entangled pair state. This paper is focused on one-dimensional quantum models to present AOP. The benchmark is given on a transverse Ising

  20. Prediction of a metastable cubic phase for the transition metals with hcp ground state.

    NASA Astrophysics Data System (ADS)

    de Coss, Romeo; Aguayo, Aaron; Murrieta, Gabriel

    2007-03-01

    The discovery of a metastable phase for a given material is interesting because corresponds to a new bonding and new properties are expected. The calculation of the total-energy along the Bain path is frequently used as a method to find tetragonal metastable states. However, a local minimum in the tetragonal distortion is not a definitive proof of a metastable state, and the elastic stability needs to be evaluated. In a previous work, using the elastic stability criteria for a cubic structure, we have shown that the transition metals with hcp ground state; Ti, Zr, and Hf have a fcc metastable phase [Aguayo, G. Murrieta, and R. de Coss, Phys. Rev. B 65, 092106 (2002)]. That result is interesting since the fcc crystal structure does not appear in the current pressure-temperature phase diagram of these metals, and support the experimental observations of fcc Ti and Zr in thin films. In the present work, we extend the elastic stability study of the fcc structure to the non-magnetic transition metals with hcp ground state; Sc, Ti, Y, Zr, Tc, Ru, Hf, Re, and Os. We find that all the metals involved in this study have a metastable fcc structure. From these results, substrates on which the fcc structure of these metals could be growth epitaxially are predicted.