34. mu. s isomer at high spin in sup 212 Fr: Evidence for a many-particle octupole coupled state
Byrne, A.P.; Dracoulis, G.D.; Schiffer, K.J.; Davidson, P.M.; Kibedi, T.; Fabricius, B.; Baxter, A.M.; Stuchbery, A.E. Australian National University, G.P.O. Box 4, Canberra, Australian Capital Territory )
1990-07-01
A very high spin isomeric state with {tau}{sub {ital m}}=34(3) {mu}s has been observed at an excitation energy of 8.5 MeV in {sup 212}Fr. The experimental evidence favors an {ital E}3 assignment, with a very large {ital E}3 transition strength, {ital B}({ital E}3)=100(12){times}10{sup 3} {ital e}{sup 2}fm{sup 6}, to one of the {gamma} rays de-exciting the isomer. The observed properties are in very good agreement with the characteristics of a 34{sup +} state predicted by the multiparticle octupole vibration model.
NASA Astrophysics Data System (ADS)
Rodríguez-Guzmán, R.; Robledo, L. M.; Sarriguren, P.
2012-09-01
The interplay between the collective dynamics of the quadrupole and octupole deformation degree of freedom is discussed in a series of Sm and Gd isotopes both at the mean-field level and beyond, including parity symmetry restoration and configuration mixing. Physical properties such as negative-parity excitation energies and E1 and E3 transition probabilities are discussed and compared to experimental data. Other relevant intrinsic quantities such as dipole moments, ground-state quadrupole moments or correlation energies associated with symmetry restoration and configuration mixing are discussed. For the considered isotopes, the quadrupole-octupole coupling is found to be weak and most of the properties of negative-parity states can be described in terms of the octupole degree of freedom alone.
One-phonon octupole vibrational states in 211At, 212Rn, 213Fr and 214Ra with N = 126
NASA Astrophysics Data System (ADS)
Hwang, J. K.; Hamilton, J. H.; Ramayya, A. V.
2013-12-01
Excited high spin states in 211At, 212Rn, 213Fr and 214Ra with N = 126 are reorganized and interpreted in terms of the stretched weak coupling of an octupole 3- phonon. Nearly identical sequences of levels with ΔI = 3 and the parity change are found, for the first time, up to 25- for 20 states of 214Ra, up to 35- for 36 states of 212Rn and up to 53/2+ for 16 states of 213Fr. The stretched weak coupling of an octupole phonon is extended up to the highest excitation energy of 11355 keV for 212Rn which has the largest experimental B( E3) value of 44.1(88) W.u. for the 11- → 8{2/+} transition. The stretched weak coupling of an octupole 3- phonon needs to be considered when single particle configurations are assigned to high spin states. Average octupole excitation energies of 657(51) keV for 211At, 1101(28) keV for 212Rn, 667(25) keV for 213Fr, and 709(25) keV for 214Ra are obtained. The calculated level enegies are in a good agreement with the experimental level energies within the error limit of 4.3%.
Nuclear collective motion with a coherent coupling interaction between quadrupole and octupole modes
NASA Astrophysics Data System (ADS)
Minkov, N.; Yotov, P.; Drenska, S.; Scheid, W.; Bonatsos, D.; Lenis, D.; Petrellis, D.
2006-04-01
A collective Hamiltonian for the rotation-vibration motion of nuclei is considered in which the axial quadrupole and octupole degrees of freedom are coupled through the centrifugal interaction. The potential of the system depends on the two deformation variables β2 and β3. The system is considered to oscillate between positive and negative β3 values by rounding an infinite potential core in the (β2,β3) plane with β2>0. By assuming a coherent contribution of the quadrupole and octupole oscillation modes in the collective motion, the energy spectrum is derived in an explicit analytic form, providing specific parity shift effects. On this basis several possible ways in the evolution of quadrupole-octupole collectivity are outlined. A particular application of the model to the energy levels and electric transition probabilities in alternating parity spectra of the nuclei Nd150, Sm152, Gd154, and Dy156 is presented.
Collective states of odd nuclei in a model with quadrupole-octupole degrees of freedom
Minkov, N. Drenska, S. B.; Yotov, P.; Bonatsos, D. Scheid, W.
2007-08-15
We apply the collective axial quadrupole-octupole Hamiltonian to describe the rotation-vibration motion of odd nuclei with Coriolis coupling between the even-even core and the unpaired nucleon.We consider that the core oscillates coherently with respect to the quadrupole and octupole axialdeformation variables. The coupling between the core and the unpaired nucleon provides a split paritydoublet structure of the spectrum. The formalism successfully reproduces the parity-doublet splitting in a wide range of odd-A nuclei. It provides model estimations for the third angular-momentum projection K on the intrinsic symmetry axis and the related intrinsic nuclear structure.
NASA Astrophysics Data System (ADS)
Kvasil, J.; Nazmitdinov, R. G.
1985-06-01
Collective states near the yrast line in nuclei with stable octupole deformation are discussed in the framework of the random phase approximation (RPA) based on the cranking model. These vibrational states are characterized by the quantum number of generalized signature (eigenvalue of the operator Sx = PRx-1( π)). In the zero-octupole deformation limit the RPA equations of motion are reduced to the well-known ones characterized by both values of parity and signature, respectively. The connection of the translational and rotational symmetry of the model hamiltonian with the spurious solutions of the RPA equation of motion is discussed. Expressions for the reduced probabilities B(E1), B(E2) and B(E3) are obtained. These expressions confirm the conclusions of phenomenological models for the strong E1 and E3 intraband transitions in nuclei with stable octupole deformation.
Search for the two-phonon octupole vibrational state in {sup 208}Pb
Blumenthal, D.J.; Henning, W.; Janssens, R.V.F.
1995-08-01
We performed an experiment to search for the two-phonon octupole vibrational state in {sup 208}Pb. Thick targets of {sup 208}Pb, {sup 209}Bi, {sup 58,64}Ni, and {sup 160}Gd were bombarded with 1305 MeV beams of were bombard {sup 208}Pb supplied by ATLAS. Gamma rays were detected using the Argonne-Notre Dame BGO gamma-ray facility, consisting of 12 Compton-suppressed germanium detectors surrounding an array of 50 BGO scintillators. We identified some 30 known gamma rays from {sup 208}Pb in the spectra gated by the 5{sup -} {yields} 3{sup -} and 3{sup -} {yields} 0{sup +} transitions in {sup 208}Pb. In addition, after unfolding these spectra for Compton response, we observed broad coincident structures in the energy region expected for the 2-phonon states. Furthermore, we confirmed the placement of a 2485 keV line observed previously in {sup 207}Pb and find no evidence consistent with the placement of this line in {sup 208}Pb. We are currently in the process of investigating the origin of the broadened lines observed in the spectra, extracting the excitation probability of states in {sup 208}Pb, and determining the relative probability of mutual excitation and neutron transfer in this reaction. An additional experiment is also being performed to collect much higher statistics germanium-germanium coincidence data for the thick {sup 208}Pb target.
Urban, W.; Korgul, A.; Rzaca-Urban, T.; Schulz, N.; Bentaleb, M.; Lubkiewicz, E.; Durell, J. L.; Leddy, M. J.; Jones, M. A.; Phillips, W. R.
2000-04-01
Excited states in {sup 137}Te, populated in spontaneous fission of {sup 248}Cm, were studied by means of prompt-{gamma} spectroscopy, using the EUROGAM2 multidetector array. This is the first observation of excited states in {sup 137}Te. The yrast excitations of {sup 137}Te are due to the three valence neutrons, occupying the {nu}f{sub 7/2} and {nu}h{sub 9/2} orbitals, similarly as observed in its heavier N=85 isotones. Systematic comparison of excited levels in the N=85 isotones shows inconsistencies in spin and parity assignments in {sup 139}Xe and {sup 141}Ba nuclei. The new data for {sup 137}Te do not confirm earlier suggestions that octupole correlations increase in the N=85 isotones, close to the Z=50 closed shell. (c) 2000 The American Physical Society.
Electric Octupole Order in Bilayer Rashba System
NASA Astrophysics Data System (ADS)
Hitomi, Takanori; Yanase, Youichi
2016-12-01
The odd-parity multipole is an emergent degree of freedom, leading to spontaneous inversion symmetry breaking. The odd-parity multipole order may occur by forming staggered even-parity multipoles in a unit cell. We focus on a locally noncentrosymmetric bilayer Rashba system, and study an odd-parity electric octupole order caused by the antiferro stacking of local electric quadrupoles. Analyzing the forward scattering model, we show that the electric octupole order is stabilized by a layer-dependent Rashba spin-orbit coupling. The roles of the spin-orbit coupling are clarified on the basis of the analytic formula of multipole susceptibility. The spin texture allowed in the D2d point group symmetry and its magnetic response are revealed. Furthermore, we show that the parity-breaking quantum critical point appears in the magnetic field. The possible realization of the electric octupole order in bilayer high-Tc cuprate superconductors is discussed.
SEARCH FOR TWO-PHONON OCTUPOLE VIBRATIONAL BANDS IN 88, 89, 92, 93, 94, 96Sr AND 95, 96, 97, 98Zr
NASA Astrophysics Data System (ADS)
Hwang, J. K.; Hamilton, J. H.; Ramayya, A. V.; Brewer, N. T.; Wang, E. H.; Luo, Y. X.; Zhu, S. J.
2012-09-01
Several new gamma transitions were identified in 94Sr, 93Sr, 92Sr, 96Zr and 97Zr from the spontaneous fission of 252Cf. Excited states in 88, 89, 92, 94, 96Sr and 95, 96, 97, 98Zr were reanalyzed and reorganized to propose the new two-phonon octupole vibrational states and bands. The spin and parity of 6+ are assigned to a 4034.5 keV state in 94Sr and 3576.4 keV state in 98Zr. These states are proposed as the two-phonon octupole vibrational states along with the 6+ states at 3483.4 keV in 96Zr, at 3786.0 keV in 92Sr and 3604.2 keV in 96Sr. The positive parity bands in 88, 94, 96Sr and 96, 98Zr are the first two-phonon octupole vibrational bands based on a 6+ state assigned in spherical nuclei. It is thought that in 94, 96Sr and 96, 98Zr a 3- octupole vibrational phonon is weakly coupled to an one-phonon octupole vibrational band to make the two-phonon octupole vibrational band. Also, the high spin states of odd-A95Zr and 97Zr are interpreted to be generated by the neutron 2d5/2 hole and neutron 1g7/2 particle, respectively, weakly coupled to one- and two-phonon octupole vibrational bands of 96Zr. The high spin states of odd-A87Sr are interpreted to be caused by the neutron 1g9/2 hole weakly coupled to 3- and 5- states of 88Sr. New one- and two-POV bands in 95, 97Zr and 87, 89Sr are proposed, for the first time, in the present work.
Microscopic analysis of quadrupole-octupole shape evolution
NASA Astrophysics Data System (ADS)
Nomura, Kosuke
2015-05-01
We analyze the quadrupole-octupole collective states based on the microscopic energy density functional framework. By mapping the deformation constrained self-consistent axially symmetric mean-field energy surfaces onto the equivalent Hamiltonian of the sdf interacting boson model (IBM), that is, onto the energy expectation value in the boson coherent state, the Hamiltonian parameters are determined. The resulting IBM Hamiltonian is used to calculate excitation spectra and transition rates for the positive- and negative-parity collective states in large sets of nuclei characteristic for octupole deformation and collectivity. Consistently with the empirical trend, the microscopic calculation based on the systematics of β2 - β3 energy maps, the resulting low-lying negative-parity bands and transition rates show evidence of a shape transition between stable octupole deformation and octupole vibrations characteristic for β3-soft potentials.
Octupole correlation effects in nuclei
Chasman, R.R.
1992-01-01
Octupole correlation effects in nuclei are discussed from the point of view of many-body wavefunctions as well as mean-field methods. The light actinides, where octupole effects are largest, are considered in detail. Comparisons of theory and experiment are made for energy splittings of parity doublets; E1 transition matrix elements and one-nucleon transfer reactions.
Octupole correlation effects in nuclei
Chasman, R.R.
1992-08-01
Octupole correlation effects in nuclei are discussed from the point of view of many-body wavefunctions as well as mean-field methods. The light actinides, where octupole effects are largest, are considered in detail. Comparisons of theory and experiment are made for energy splittings of parity doublets; E1 transition matrix elements and one-nucleon transfer reactions.
Consistent quadrupole-octupole collective model
NASA Astrophysics Data System (ADS)
Dobrowolski, A.; Mazurek, K.; Góźdź, A.
2016-11-01
Within this work we present a consistent approach to quadrupole-octupole collective vibrations coupled with the rotational motion. A realistic collective Hamiltonian with variable mass-parameter tensor and potential obtained through the macroscopic-microscopic Strutinsky-like method with particle-number-projected BCS (Bardeen-Cooper-Schrieffer) approach in full vibrational and rotational, nine-dimensional collective space is diagonalized in the basis of projected harmonic oscillator eigensolutions. This orthogonal basis of zero-, one-, two-, and three-phonon oscillator-like functions in vibrational part, coupled with the corresponding Wigner function is, in addition, symmetrized with respect to the so-called symmetrization group, appropriate to the collective space of the model. In the present model it is D4 group acting in the body-fixed frame. This symmetrization procedure is applied in order to provide the uniqueness of the Hamiltonian eigensolutions with respect to the laboratory coordinate system. The symmetrization is obtained using the projection onto the irreducible representation technique. The model generates the quadrupole ground-state spectrum as well as the lowest negative-parity spectrum in 156Gd nucleus. The interband and intraband B (E 1 ) and B (E 2 ) reduced transition probabilities are also calculated within those bands and compared with the recent experimental results for this nucleus. Such a collective approach is helpful in searching for the fingerprints of the possible high-rank symmetries (e.g., octahedral and tetrahedral) in nuclear collective bands.
Octupole response and stability of spherical shape in heavy nuclei
NASA Astrophysics Data System (ADS)
Abrosimov, V. I.; Davidovskaya, O. I.; Dellafiore, A.; Matera, F.
2003-11-01
The isoscalar octupole response of a heavy spherical nucleus is analyzed in a semiclassical model based on the linearized Vlasov equation. The octupole strength function is evaluated with different degrees of approximation. The zero-order fixed-surface response displays a remarkable concentration of strength in the 1ℏ ω and 3ℏ ω regions, in excellent agreement with the quantum single-particle response. The collective fixed-surface response reproduces both the high- and low-energy octupole resonances, but not the low-lying 3 - collective states, while the moving-surface response function gives a good qualitative description of all the main features of the octupole response in heavy nuclei. The role of triangular nucleon orbits, that have been related to a possible instability of the spherical shape with respect to octupole-type deformations, is discussed within this model. It is found that, rather than creating instability, the triangular trajectories are the only classical orbits contributing to the damping of low-energy octupole excitations.
Periodic orbits and shell structure in octupole deformed potentials
Heiss, W.D. ); Nazmitdinov, R.G. ); Radu, S. )
1995-01-15
The effect of an octupole term in a quadrupole deformed single-particle potential is studied from the classical and quantum-mechanical viewpoint. Whereas the problem is nonintegrable, the quantum-mechanical spectrum nevertheless shows some shell structure in the superdeformed prolate case for particular, yet fairly large octupole strengths; for spherical or oblate deformation the shell structure disappears. This result is associated with classical periodic orbits that are found by employing the removal of resonances method; this approximation method allows determination of the shape of the orbit and of the approximate octupole coupling strength for which it occurs. The validity of the method is confirmed by solving numerically the classical equations of motion. The quantum-mechanical shell structure is analyzed using the particle-number dependence of the fluctuating part of the total energy. In accordance with the classical result, this dependence turns out to be very similar for a superdeformed prolate potential plus octupole term and a hyperdeformed prolate potential without octupole term. In this way the shell structure is explained at least for some few hundred levels. The Fourier transform of the level density further corroborates these findings.
Octupole correlations in N =88 154Dy : Octupole vibration versus stable deformation
NASA Astrophysics Data System (ADS)
Zimba, G. L.; Sharpey-Schafer, J. F.; Jones, P.; Bvumbi, S. P.; Masiteng, L. P.; Majola, S. N. T.; Dinoko, T. S.; Lawrie, E. A.; Lawrie, J. J.; Negi, D.; Papka, P.; Roux, D.; Shirinda, O.; Easton, J. E.; Khumalo, N. A.
2016-11-01
We report on low-spin states of 154Dy populated via the reaction 155Gd (3He,4 n ) with a beam energy of 37.5 MeV from the Separated Sector Cyclotron at iThemba Laboratory. The AFRODITE γ-ray spectrometer was used to establish new E 1 transitions between bands of opposite parity. The measurements broaden the N =88 systematics on the relationship between the first excited positive-parity pairing isomer band and the lowest-lying negative-parity band as the nuclear quadrupole deformation decreases with increasing proton number. In a region of strong octupole correlations the data suggest that the spectroscopy of N =88 nuclei is driven by stable octupole deformations and not by vibrations.
NASA Astrophysics Data System (ADS)
Jolos, R. V.; von Brentano, P.; Jolie, J.
2012-08-01
Background: Shape phase transitions in finite quantal systems are very interesting phenomena of general physical interest. There is a very restricted number of the examples of nuclei demonstrating this phenomenon.Purpose: Based on experimental excitation spectra, there is a second order phase transition in the alternating parity bands of some actinide nuclei.Method: The mathematical techniques of supersymmetric quantum mechanics, two-center octupole wave functions ansatz, and the Landau theory of phase transitions are used to analyze the experimental data on alternating parity bands.Results: The potential energy of the octupole collective motion is determined and analyzed for all observed values of the angular momentum of the alternating parity band states in 232Th, 238U, and 240Pu.Conclusion: It is shown that as a function of increasing angular momentum there is a second order phase transition from the octupole-nondeformed to the octupole-deformed shape in the considered nuclei.
Octupole correlations in the heavy elements
Chasman, R.R.
1986-01-01
The effects of octupole correlations on the nuclear structure of the heavy elements are discussed. The cluster model description of the heavy elements is analyzed. The relevance of 2/sup 6/-pole deformation and fast El transitions to an octupole model is considered. 30 refs., 21 figs., 1 tab.
Modified octupoles for damping coherent instabilities
Cornacchia, M. . Stanford Synchrotron Radiation Lab.); Corbett, W.J. ); Halbach, K. )
1991-05-01
The introduction tune spread in circular e{sup +}e{sup {minus}} accelerators with modified octupoles to reduce the loss of dynamic aperture is discussed. The new magnet design features an octupole of field component on-axis and a tapered field structure off-axis to minimize loss of dynamic aperture. Tracking studies show that the modified octupoles can produce the desired tune spread in SPEAR without compromising confinement of the beam. The technique for designing such magnets is presented, together with an example of magnets that give the required field distribution. 7 refs., 7 figs.
Influence of the octupole mode on nuclear high-K isomeric properties
NASA Astrophysics Data System (ADS)
Minkov, Nikolay; Walker, Phil
2014-05-01
The influence of quadrupole-octupole deformations on the energy and magnetic properties of high-K isomeric states in even-even actinide (U, Pu, Cm, Fm, No), rare-earth (Nd, Sm and Gd), and superheavy (^{270}\\text{Ds}) nuclei is examined within a deformed shell model with pairing interaction. The neutron two-quasiparticle (2qp) isomeric energies and magnetic dipole moments are calculated over a wide range in the plane of quadrupole and octupole deformations. In most cases the magnetic moments exhibit a pronounced sensitivity to the octupole deformation. At the same time, the calculations outline three different groups of nuclei: with pronounced, shallow, and missing minima in the 2qp energy surfaces with respect to the octupole deformation. The result indicates regions of nuclei with octupole softness as well as with possible octupole deformation in the high-K isomeric states. These findings show the need for further theoretical analysis as well as of detailed experimental measurements of magnetic moments in heavy deformed nuclei.
Appraising nuclear-octupole-moment contributions to the hyperfine structures in 211Fr
NASA Astrophysics Data System (ADS)
Sahoo, B. K.
2015-11-01
Hyperfine structures of 211Fr due to the interactions of magnetic dipole (μ ), electric quadrupole (Q ), and magnetic octupole (Ω ) moments with the electrons are investigated using the relativistic coupled-cluster theory with the single, double, and important valence triple excitations approximations. The validity of our calculations is substantiated by comparing these values with the available experimental results. Its Q value has also been elevated by combining the measured hyper-fine-structure constant of the 7 p 2P3 /2 state with our improved calculation. Considering the preliminary value of Ω from the nuclear shell model, its contributions to the hyperfine structures up to the 7 d 2D5 /2 low-lying states in 211Fr are estimated. Hyperfine energy-level splittings of many states have been assessed to find the suitability for carrying out their precise measurements so that Ω of 211Fr can be inferred from them unambiguously.
NASA Astrophysics Data System (ADS)
Bizzeti, P. G.; Bizzeti-Sona, A. M.
2010-03-01
The model, introduced in a previous paper, for the description of the octupole and quadrupole degrees of freedom in conditions close to the axial symmetry is used to describe the negative-parity band based on the first octupole vibrational state in nuclei close to the critical point of the U(5)-to-SU(3) phase transition. The situation of Nd150 and Sm152 is discussed in detail. The positive-parity levels of these nuclei, and also the in-band E2 transitions, are reasonably accounted for by the X(5) model. With simple assumptions on the nature of the octupole vibrations, it is also possible to describe the negative-parity sector with comparable accuracy without changing the description of the positive-parity part.
Octupole fragmentation and the structure of the O(6)-like Ba nuclei
Zamfir, N.V.; Casten, R.F.; Cottle, P.D.
1996-10-01
The low energy octupole states in {sup 134}Ba were examined using proton inelastic scattering. The data show that there is no significant octupole strength in addition to that corresponding to the lowest 3{sup -} state. Consequently, the strong fragmentation of the low energy octupole state expected for a {gamma} soft nucleus does not occur in {sup 134}Ba. The apparent contradiction that the positive parity states in this nucleus present an O(6) type structure and the negative parity ones do not follow the selection rules of the E3 operator for the O(6) symmetry might be explained by noticing that the wave function of an O(6) nucleus has a significant overlap with the wave function of an U(5) - SU(3) transitional nucleus. 9 refs., 3 figs., 2 tabs.
Nonaxial-octupole effect in superheavy nuclei
Chen, Y.-S.; Sun, Yang; Gao Zaochun
2008-06-15
The triaxial-octupole Y{sub 32} correlation in atomic nuclei has long been expected to exist but experimental evidence has not been clear. We find, in order to explain the very low-lying 2{sup -} bands in the transfermium mass region, that this exotic effect may manifest itself in superheavy elements. Favorable conditions for producing triaxial-octupole correlations are shown to be present in the deformed single-particle spectrum, which is further supported by quantitative Reflection Asymmetric Shell Model calculations. It is predicted that the strong nonaxial-octupole effect may persist up to the element 108. Our result thus represents the first concrete example of spontaneous breaking of both axial and reflection symmetries in the heaviest nuclear systems.
Octupole deformation in sup 221 Fr; E1 transition rates
Liang, C.F.; Peghaire, A. ); Sheline, R.K. )
1990-07-10
Experimental data following the alpha decay of{sup 225}Ac are interpreted in terms of a spectroscopy in {sup 221}Fr consistent with octupole deformation. However, the measured E1 transition probabilities suggest that the low lying bands in {sup 221}Fr are considerably more mixed than in nuclei with slightly higher mass number. It is suggested that this mixing of states in {sup 221}Fr is indicative of the partial collapse of Nilsson-like orbitals into more degenerate shell model orbitals.
Possible octupole deformation in Cs and Ba nuclei from their differential radii
Sheline, R.K.; Jain, A.K.; Jain, K.
1988-12-01
The odd-even staggering of the differential radii of Fr and Ra and the Cs and Ba nuclei is compared. This staggering is inverted in the region of known octupole deformation in the Fr and Ra nuclei. The normal staggering is eliminated in the Cs nuclei and attenuated in the Ba nuclei for neutron numbers 85--88. This fact is used to suggest the possible existence of octupole deformation and its neutron number range in the Cs and Ba nuclear ground states.
Time-dependent Hartree-Fock Study of Octupole Vibrations in doubly magic nuclei
NASA Astrophysics Data System (ADS)
Simenel, C.; Buete, J.; Vo-Phuoc, K.
2016-09-01
Octupole vibrations are studied in some doubly magic nuclei using the time-dependent Hartree-Fock (TDHF) theory with a Skyrme energy density functional. Through the use of the linear response theory, the energies and transition amplitudes of the low-lying vibrational modes for each of the nuclei were determined. Energies were found to be close to experimental results. However, transition amplitudes, quantified by the deformation parameter β3, are underestimated by TDHF. A comparison with single-particle excitations on the Hartree-Fock ground-state shows that the collective octupole vibrations have their energy lowered due to attractive RPA residual interaction.
Anharmonicity of the excited octupole band in actinides using supersymmetric quantum mechanics
NASA Astrophysics Data System (ADS)
Jolos, R. V.; von Brentano, P.; Casten, R. F.
2013-09-01
Background: Low-lying octupole collective excitations play an important role in the description of the structure of nuclei in the actinide region. Ground state alternating parity rotational bands combining both positive and negative parity states are known in several nuclei. However, only recently it has been discovered in 240Pu an excited positive parity rotational band having an octupole nature and demonstrating strong anharmonicity of the octupole motion in the band head energies.Purpose: To suggest a model describing both ground state and excited alternating parity bands, which includes a description of the anharmonic effects in the bandhead excitation energies and can be used to predict the energies of the excited rotational bands of octupole nature and the E1 transition probabilities.Methods: The mathematical technique of the supersymmetric quantum mechanics with a collective Hamiltonian depending only on the octupole collective variable which keeps axial symmetry is used to describe the ground state and excited alternating parity rotational bands.Results: The excitation energies of the states belonging to the lowest negative parity and the excited positive parity bands are calculated for 232Th, 238U, and 240Pu. The E1 transition matrix elements are also calculated for 240Pu.Conclusions: It is shown that the suggested model describes the excitation energies of the states of the lowest negative parity band with the accuracy around 10 keV. The anharmonicity in the bandhead energy of the excited positive parity band is described also. The bandhead energy of the excited positive parity band is described with the accuracy around 100 keV.
Microscopic description of octupole shape-phase transitions in light actinide and rare-earth nuclei
NASA Astrophysics Data System (ADS)
Nomura, K.; Vretenar, D.; Nikšić, T.; Lu, Bing-Nan
2014-02-01
A systematic analysis of low-lying quadrupole and octupole collective states is presented based on the microscopic energy density functional framework. By mapping the deformation constrained self-consistent axially symmetric mean-field energy surfaces onto the equivalent Hamiltonian of the sdf interacting boson model (IBM), that is, onto the energy expectation value in the boson condensate state, the Hamiltonian parameters are determined. The study is based on the global relativistic energy density functional DD-PC1. The resulting IBM Hamiltonian is used to calculate excitation spectra and transition rates for the positive- and negative-parity collective states in four isotopic chains characteristic for two regions of octupole deformation and collectivity: Th, Ra, Sm, and Ba. Consistent with the empirical trend, the microscopic calculation based on the systematics of β2-β3 energy maps, the resulting low-lying negative-parity bands and transition rates show evidence of a shape transition between stable octupole deformation and octupole vibrations characteristic for β3-soft potentials.
NASA Astrophysics Data System (ADS)
McPherson, David M.
An inverse kinematic proton scattering experiment was performed at the National Superconducting Cyclotron Laboratory (NSCL) using the GRETINA-S800 detector system in conjunction with the Ursinus College liquid hydrogen target. gamma-ray yields from the experiment were determined using geant4 simulations, generating state population cross sections. These cross sections were used to extract the delta_3 deformation length for the low-lying octupole vibration excitations in Ca-48,49 using the coupled channels analysis code fresco. Particle-core coupling in Ca-49 was studied in comparison to Ca-48 through determination of the neutron and proton deformation lengths. The total inverse kinematic proton scattering deformation lengths were evaluated for the low-lying octupole vibration excitations in Ca-48,49 to be delta_3(Ca-48, 3. -_1) = 1.0(2)fm,delta_3(Ca-49, 9/2. +_1) = 1.2(1)fm, delta_3 (Ca-49, 9/2. +_1) = 1.5(2)fm, delta_3(Ca-49,5/2. +_1) = 1.1(1)fm. Proton and neutron deformation lengths for two of theseoctupole states were also determined to be delta_p(Ca-48, 3. -_1) = 0.9(1)fm,delta_p (Ca-49, 9/2. +_1) = 1.0(1)fm, delta_n(Ca-48, 3. -_1) = 1.1(3)fm, anddelta_n(Ca-49, 9/2. +_1) = 1.3(3)fm. Additionally, the ratios of the neutronto proton transition matrix elements were also determined for these two states to be M_n/M_p(Ca-48, 3. -_1) = 1.7(6) and M_n/M_p(Ca-49, 9/2. +_1) = 2.0(5).Statistically, the derived values for these two nuclei are nearly identical.
Direct evidence of octupole deformation in neutron-rich ^{144}Ba
Bucher, B.; Zhu, S.; Wu, C. Y.; Janssens, R. V. F.; Cline, D.; Hayes, A. B.; Albers, M.; Ayangeakaa, A. D.; Butler, P. A.; Campbell, C. M.; Carpenter, M. P.; Chiara, C. J.; Clark, J.; Crawford, H. L.; Cromaz, M.; David, H. M.; Gregor, E. T.; Kondev, F. G.; Harker, J.; Hoffman, C. R.; Kay, B. P.; Korichi, A.; Lauritsen, T.; Macchiavelli, A. O.; Pardo, R. C.; Richard, A.; Riley, M. A.; Savard, G.; Scheck, M.; Seweryniak, D.; Smith, M. K.; Wiens, A.; Vondrasek, R.
2016-03-17
Here, the neutron-rich nucleus ^{144}Ba (t_{1/2} = 11.5 s) is expected to exhibit some of the strongest octupole correlations among nuclei with mass numbers A less than 200. Until now, indirect evidence for such strong correlations has been inferred from observations such as enhanced E1 transitions and interleaving positive- and negative-parity levels in the ground-state band. In this experiment, the octupole strength was measured directly by sub-barrier, multistep Coulomb excitation of a post-accelerated 650-MeV ^{144}Ba beam on a 1.0–mg/cm^{2} ^{208}Pb target. The measured value of the matrix element, < 3_{1}–∥M(E3)∥0_{1}^{+} >= 0.65(^{+17}_{–23}) eb^{3/2}, corresponds to a reduced B(E3) transition probability of 48(^{+25}_{–34}) W.u. This result represents an unambiguous determination of the octupole collectivity, is larger than any available theoretical prediction, and is consistent with octupole deformation.
Direct evidence of octupole deformation in neutron-rich 144Ba
Bucher, B.; Zhu, S.; Wu, C. Y.; ...
2016-03-17
Here, the neutron-rich nucleus 144Ba (t1/2 = 11.5 s) is expected to exhibit some of the strongest octupole correlations among nuclei with mass numbers A less than 200. Until now, indirect evidence for such strong correlations has been inferred from observations such as enhanced E1 transitions and interleaving positive- and negative-parity levels in the ground-state band. In this experiment, the octupole strength was measured directly by sub-barrier, multistep Coulomb excitation of a post-accelerated 650-MeV 144Ba beam on a 1.0–mg/cm2 208Pb target. The measured value of the matrix element, < 31–∥M(E3)∥01+ >= 0.65(+17–23) eb3/2, corresponds to a reduced B(E3) transition probabilitymore » of 48(+25–34) W.u. This result represents an unambiguous determination of the octupole collectivity, is larger than any available theoretical prediction, and is consistent with octupole deformation.« less
Simultaneous quadrupole and octupole shape phase transitions in Thorium
NASA Astrophysics Data System (ADS)
Li, Z. P.; Song, B. Y.; Yao, J. M.; Vretenar, D.; Meng, J.
2013-11-01
The evolution of quadrupole and octupole shapes in Th isotopes is studied in the framework of nuclear Density Functional Theory. Constrained energy maps and observables calculated with microscopic collective Hamiltonians indicate the occurrence of a simultaneous quantum shape phase transition between spherical and quadrupole-deformed prolate shapes, and between non-octupole and octupole-deformed shapes, as functions of the neutron number. The nucleus 224Th is closest to the critical point of a double phase transition. A microscopic mechanism of this phenomenon is discussed in terms of the evolution of single-nucleon orbitals with deformation.
Design of Octupole Channel for Integrable Optics Test Accelerator
Antipov, Sergey; Carlson, Kermit; Castellotti, Riccardo; Valishev, Alexander; Wesseln, Steven
2016-06-01
We present the design of octupole channel for Integrable Optics Test Accelerator (IOTA). IOTA is a test accelerator at Fermilab, aimed to conduct research towards high-intensity machines. One of the goals of the project is to demonstrate high nonlinear betatron tune shifts while retaining large dynamic aperture in a realistic accelerator design. At the first stage the tune shift will be attained with a special channel of octupoles, which creates a variable octupole potential over a 1.8 m length. The channel consists of 18 identical air-cooled octupole magnets. The magnets feature a simple low-cost design, while meeting the requirements on maximum gradient - up to 1.4 kG/cm³, and field quality - strength of harmonics below 1%. Numerical simulations show that the channel is capable of producing a nonlinear tune shift of 0.08 without restriction of dynamic aperture of the ring.
Chaos in axially symmetric potentials with octupole deformation
Heiss, W.D.; Nazmitdinov, R.G.; Radu, S. Departamento de Fisica Teorica C-XI, Universidad Autonoma de Madrid, E-28049, Madrid )
1994-04-11
Classical and quantum mechanical results are reported for the single particle motion in a harmonic oscillator potential which is characterized by a quadrupole deformation and an additional octupole deformation. The chaotic character of the motion is strongly dependent on the quadrupole deformation in that for a prolate deformation virtually no chaos is discernible while for the oblate case the motion shows strong chaos when the octupole term is turned on.
Evidence for Octupole Correlations in Multiple Chiral Doublet Bands
NASA Astrophysics Data System (ADS)
Liu, C.; Wang, S. Y.; Bark, R. A.; Zhang, S. Q.; Meng, J.; Qi, B.; Jones, P.; Wyngaardt, S. M.; Zhao, J.; Xu, C.; Zhou, S.-G.; Wang, S.; Sun, D. P.; Liu, L.; Li, Z. Q.; Zhang, N. B.; Jia, H.; Li, X. Q.; Hua, H.; Chen, Q. B.; Xiao, Z. G.; Li, H. J.; Zhu, L. H.; Bucher, T. D.; Dinoko, T.; Easton, J.; Juhász, K.; Kamblawe, A.; Khaleel, E.; Khumalo, N.; Lawrie, E. A.; Lawrie, J. J.; Majola, S. N. T.; Mullins, S. M.; Murray, S.; Ndayishimye, J.; Negi, D.; Noncolela, S. P.; Ntshangase, S. S.; Nyakó, B. M.; Orce, J. N.; Papka, P.; Sharpey-Schafer, J. F.; Shirinda, O.; Sithole, P.; Stankiewicz, M. A.; Wiedeking, M.
2016-03-01
Two pairs of positive-and negative-parity doublet bands together with eight strong electric dipole transitions linking their yrast positive- and negative-parity bands have been identified in 78Br. They are interpreted as multiple chiral doublet bands with octupole correlations, which is supported by the microscopic multidimensionally-constrained covariant density functional theory and triaxial particle rotor model calculations. This observation reports the first example of chiral geometry in octupole soft nuclei.
Symmetry enriched U(1) topological orders for dipole-octupole doublets on a pyrochlore lattice
NASA Astrophysics Data System (ADS)
Li, Yao-Dong; Chen, Gang
2017-01-01
Symmetry plays a fundamental role in our understanding of both conventional symmetry breaking phases and the more exotic quantum and topological phases of matter. We explore the experimental signatures of symmetry enriched U(1) quantum spin liquids (QSLs) on the pyrochlore lattice. We point out that the Ce local moment of the newly discovered pyrochlore QSL candidate Ce2Sn2O7 , is a dipole-octupole doublet. The generic model for these unusual doublets supports two distinct symmetry enriched U(1) QSL ground states in the corresponding quantum spin ice regimes. These two U(1) QSLs are dubbed dipolar U(1) QSL and octupolar U(1) QSL. While the dipolar U(1) QSL has been discussed in many contexts, the octupolar U(1) QSL is rather unique. Based on the symmetry properties of the dipole-octupole doublets, we predict the peculiar physical properties of the octupolar U(1) QSL, elucidating the unique spectroscopic properties in the external magnetic fields. We further predict the Anderson-Higgs transition from the octupolar U(1) QSL driven by the external magnetic fields. We identify the experimental relevance with the candidate material Ce2Sn2O7 and other dipole-octupole doublet systems.
The smallest chimera state for coupled pendula
Wojewoda, Jerzy; Czolczynski, Krzysztof; Maistrenko, Yuri; Kapitaniak, Tomasz
2016-01-01
Chimera states in the systems of coupled identical oscillators are spatiotemporal patterns in which different groups of oscillators can exhibit coexisting synchronous and incoherent behaviors despite homogeneous coupling. Although these states are typically observed in large ensembles of oscillators, recently it has been suggested that chimera states may occur in the systems with small numbers of oscillators. Here, considering three coupled pendula showing chaotic behavior, we find the pattern of the smallest chimera state, which is characterized by the coexistence of two synchronized and one incoherent oscillator. We show that this chimera state can be observed in simple experiments with mechanical oscillators, which are controlled by elementary dynamical equations derived from Newton’s laws. Our finding suggests that chimera states are observable in small networks relevant to various real-world systems. PMID:27713483
The smallest chimera state for coupled pendula
NASA Astrophysics Data System (ADS)
Wojewoda, Jerzy; Czolczynski, Krzysztof; Maistrenko, Yuri; Kapitaniak, Tomasz
2016-10-01
Chimera states in the systems of coupled identical oscillators are spatiotemporal patterns in which different groups of oscillators can exhibit coexisting synchronous and incoherent behaviors despite homogeneous coupling. Although these states are typically observed in large ensembles of oscillators, recently it has been suggested that chimera states may occur in the systems with small numbers of oscillators. Here, considering three coupled pendula showing chaotic behavior, we find the pattern of the smallest chimera state, which is characterized by the coexistence of two synchronized and one incoherent oscillator. We show that this chimera state can be observed in simple experiments with mechanical oscillators, which are controlled by elementary dynamical equations derived from Newton’s laws. Our finding suggests that chimera states are observable in small networks relevant to various real-world systems.
Measurement of tune spread in the Tevatron versus octupole strength
Marriner, John; Martens, Mike; /Fermilab
1996-08-01
An experiment was performed in the Tevatron to measure the tune spread versus octupole strength. The experiment is sensitive to the relationship between octupole strength and current in the T:OZF circuit and to the octupole (and other non-linear focusing fields) in the Tevatron. The major motivation for the experiment was to determine the value of octupole excitation that minimizes the tune spread: this value is an estimate of the value required to obtain ''zero'' total octupole excitation in the extraction process. The experiment was performed using the strip-line kickers at A17 and the resonant Schottky pickups. The horizontal proton kicker was excited with a sine-wave from a vector signal analyzer (HP-89440A) and the horizontal proton signal was received. The gating circuitry normally used to select proton or antiproton bunches was by-passed. The response function was measured and recorded on a floppy disk. Measurements were initially made with a 200 Hz span (0.250 Hz frequency bins) and later with a 100 Hz span (0.125 Hz frequency bins).
Imperfect chimera states for coupled pendula
Kapitaniak, Tomasz; Kuzma, Patrycja; Wojewoda, Jerzy; Czolczynski, Krzysztof; Maistrenko, Yuri
2014-01-01
The phenomenon of chimera states in the systems of coupled, identical oscillators has attracted a great deal of recent theoretical and experimental interest. In such a state, different groups of oscillators can exhibit coexisting synchronous and incoherent behaviors despite homogeneous coupling. Here, considering the coupled pendula, we find another pattern, the so-called imperfect chimera state, which is characterized by a certain number of oscillators which escape from the synchronized chimera's cluster or behave differently than most of uncorrelated pendula. The escaped elements oscillate with different average frequencies (Poincare rotation number). We show that imperfect chimera can be realized in simple experiments with mechanical oscillators, namely Huygens clock. The mathematical model of our experiment shows that the observed chimera states are controlled by elementary dynamical equations derived from Newton's laws that are ubiquitous in many physical and engineering systems. PMID:25223296
Dasso, C.H.; Dasso, C.H.; Fernandez-Niello, J.
1997-05-01
The authors comment on the Letter by J.D. Bierman et al., Phys. Rev. Lett. 76, 1587(1996), and show the method by which they have been constructed is not the most appropriate. A Comment on the Letter by J.D. Bierman, {ital et al. }, Phys.Rev.Lett.{bold 76}, 1587 (1996). The authors of the Letter offer a Reply. {copyright} {ital 1997} {ital The American Physical Society}
Search for octupole deformation in neutron rich Xe isotopes
Bentaleb, M.; Schulz, N.; Lubkiewicz, E.
1994-07-01
A search for octupole deformation in neutron rich Xe isotopes has been conducted through gamma-ray spectroscopy of primary fragments produced in the spontaneous fission of {sup 248}Cm. The spectrometer consisted of the Eurogam array and a set of 5 LEPS detectors. Level schemes were constructed for Xe isotopes with masses ranging from 138 to 144. Except for {sup 139}Xe, none of them exhibit an alternating parity quasimolecular band, {alpha} feature usually encountered in octupole deformed nuclei. Substantial evidence for reflection asymmetric shape in the intrinsic system of the nucleus exists for the light actinide nuclei.
Evidence for octupole vibration in the triaxial superdeformed well of {sup 164}Lu.
Bringel, P.; Engelhardt, C.; Hubel, H.; NeuBer-Neffgen, A.; Odegard, S. W.; Hagemann, G. B.; Hansen, C. R.; Herskind, B.; Sletten, G.; Carpenter, M. P.; Janssens, R. V. F.; Khoo, T. L.; Lauritsen, T.; Seweryniak, D.; Ma, W. C.; Roux, D. G.; Chowdhury, P.; Physics; Univ. Bonn; Univ. of Oslo; Niels Bohr Inst.; Mississippi State Univ.; Univ. of Massachusetts
2007-01-01
High-spin states in {sup 164}Lu were populated in the {sup 121}Sb({sup 48}Ca,5n) reaction at 215 MeV and {gamma}-ray coincidences were measured with the Gammasphere spectrometer. Through this experiment the eight known triaxial superdeformed bands in {sup 164}Lu could be confirmed. Some of these bands were extended to higher as well as to lower spins. Evidence is reported for the first time for weak {delta}I=1,E1 transitions linking TSD3 and TSD1. This observation may imply coupling to octupole vibrational degrees of freedom. The decay mechanism is different from the one observed in the neighboring even-N isotopes, which exhibit wobbling excitations built on the {pi}i{sub 13/2} structure with E2(M1),{delta}I=1 interband decay. An additional sequence decaying at high spin into TSD1 was observed up to I{sup {pi}}=(50{sup -}). This band has a constant dynamic moment of inertia of {approx}70({Dirac_h}/2{pi}){sup 2}MeV{sup -1} and an alignment that is {approx}2({Dirac_h}/2{pi}) larger than that found for TSD1. A revision of the assumed spin-parity-assignment of TSD2 is based on the observed decay-out to normal-deformed structures. The parity and signature quantum numbers of TSD2 are now firmly assigned as ({pi},{alpha})=(+,0), in disagreement with the former assignment of ({pi},{alpha})=(-,1), which was based on the assumption that TSD2 is the signature partner of TSD1. TSD1 and TSD2 show an alignment gain at ({Dirac_h}/2{pi}){omega}{approx}0.67 and 0.60 MeV, respectively. In TSD1 the involvement of the j{sub 15/2} neutron orbital is suggested to be responsible for the high-frequency crossing.
Evidence for octupole vibration in the triaxial superdeformed well of {sup 164}Lu
Bringel, P.; Engelhardt, C.; Huebel, H.; Neusser-Neffgen, A.; Odega ring rd, S. W.; Hagemann, G. B.; Hansen, C. R.; Herskind, B.; Sletten, G.; Carpenter, M. P.; Janssens, R. V. F.; Khoo, T. L.; Lauritsen, T.; Seweryniak, D.; Ma, W. C.; Roux, D. G.; Chowdhury, P.
2007-04-15
High-spin states in {sup 164}Lu were populated in the {sup 121}Sb({sup 48}Ca,5n) reaction at 215 MeV and {gamma}-ray coincidences were measured with the Gammasphere spectrometer. Through this experiment the eight known triaxial superdeformed bands in {sup 164}Lu could be confirmed. Some of these bands were extended to higher as well as to lower spins. Evidence is reported for the first time for weak {delta}I=1,E1 transitions linking TSD3 and TSD1. This observation may imply coupling to octupole vibrational degrees of freedom. The decay mechanism is different from the one observed in the neighboring even-N isotopes, which exhibit wobbling excitations built on the {pi}i{sub 13/2} structure with E2(M1),{delta}I=1 interband decay. An additional sequence decaying at high spin into TSD1 was observed up to I{sup {pi}}=(50{sup -}). This band has a constant dynamic moment of inertia of {approx}70({Dirac_h}/2{pi}){sup 2}MeV{sup -1} and an alignment that is {approx}2({Dirac_h}/2{pi}) larger than that found for TSD1. A revision of the assumed spin-parity-assignment of TSD2 is based on the observed decay-out to normal-deformed structures. The parity and signature quantum numbers of TSD2 are now firmly assigned as ({pi},{alpha})=(+,0), in disagreement with the former assignment of ({pi},{alpha})=(-,1), which was based on the assumption that TSD2 is the signature partner of TSD1. TSD1 and TSD2 show an alignment gain at ({Dirac_h}/2{pi}){omega}{approx}0.67 and 0.60 MeV, respectively. In TSD1 the involvement of the j{sub 15/2} neutron orbital is suggested to be responsible for the high-frequency crossing.
NASA Astrophysics Data System (ADS)
Zhang, W.; Li, Z. P.; Zhang, S. Q.; Meng, J.
2010-03-01
The potential energy surfaces of even-even Sm146-156 are investigated in the constrained reflection-asymmetric relativistic mean-field approach with parameter set PK1. It is shown that the critical-point candidate nucleus Sm152 marks the shape/phase transition not only from U(5) to SU(3) symmetry, but also from the octupole-deformed ground state in Sm150 to the quadrupole-deformed ground state in Sm154. By including the octupole degree of freedom, an energy gap near the Fermi surface for single-particle levels in Sm152 with β2=0.14~0.26 is found and the important role of the octupole deformation driving pair ν2f7/2 and ν1i13/2 is demonstrated.
Evidence for octupole excitations in the odd-odd neutron-rich nucleus {sup 142}Cs
Liu, S. H.; Hamilton, J. H.; Ramayya, A. V.; Hwang, J. K.; Luo, Y. X.; Rasmussen, J. O.; Zhu, S. J.; Ma, W. C.; Daniel, A. V.; Ter-Akopian, G. M.
2010-05-15
High-spin states in the neutron-rich nucleus {sup 142}Cs are reinvestigated from a study of the spontaneous fission of {sup 252}Cf with the Gammasphere detector array. A new level scheme is built and spin-parities are assigned to levels based on angular correlation measurements and systematics. The new structure of {sup 142}Cs is proposed to be related to octupole correlations. The electric dipole moment of {sup 142}Cs is measured and a dramatic decrease of the dipole moments with increasing neutron numbers in the Cs isotopic chain is found.
Cryogenically cooled octupole ion trap for spectroscopy of biomolecular ions.
Boyarkin, Oleg V; Kopysov, Vladimir
2014-03-01
We present here the design of a linear octupole ion trap, suitable for collisional cryogenic cooling and spectroscopy of large ions. The performance of this trap has been assessed using ultraviolet (UV) photofragmentation spectroscopy of protonated dipeptides. At the trap temperature of 6.1 K, the vibrational temperature of the ions reaches 9.1 K, although their estimated translational temperature is ~150 K. This observation suggests that, despite the significant translational heating by radio-frequency electrical field, vibrational cooling of heavy ions in the octupole is at least as efficient as in the 22-pole ion traps previously used in our laboratory. In contrast to the 22-pole traps, excellent radial confinement of ions in the octupole makes it convenient for laser spectroscopy and boosts the dissociation yield of the stored ions to 30%. Overlap of the entire ion cloud by the laser beam in the octupole also allows for efficient UV depletion spectroscopy of ion-He clusters. The measured electronic spectra of the dipeptides and the clusters differ drastically, complicating a use of UV tagging spectroscopy for structural determination of large species.
Multiple climate states on a coupled Aquaplanet
NASA Astrophysics Data System (ADS)
Ferreira, D.; Rose, B.; Marshall, J.
2011-12-01
The proven existence of multiple equilibria in the climate system would have a profound impact on our interpretation of the paleoclimate record and our perspectives on possible future climates. Although the oceanic and atmospheric literature abounds with studies of simple models that exhibit multiple equilibria, the existence of multiple stable states has not been conclusively demonstrated in complex coupled climate models. Here we report that a fully coupled atmosphere-ocean-sea ice GCM (with idealized ocean basin geometries) can sustain three equilibrium states under identical external forcing: an equable ice-free climate, a (moderately) cold climate with ice caps extending into mid-latitudes, and a completely ice-covered "Snowball" state. These multiple states persist for millennia despite a full seasonal cycle and vigorous internal variability of the system on all time scales (from day-to-day weather perturbations to multi-decadal fluctuations). We find that the large convergence of the ocean heat transport (OHT) in the subtropics to lower mid-latitudes is essential in the maintenance of three multiple states. This convergence pattern (similar to modern Earth) is robust to changes in the ocean basin geometry, and is directly responsible for the stabilization of the large ice cap. Transitions between states are explored through very long integrations (many kyr) of the coupled model with prescribed slowly-varying radiative forcing (sim pm 5 W/m^2 in the global mean). The resulting large expansions and retreats of ice caps exhibits threshold behavior and multiple time scales. The dynamics of these transitions are governed by interactions between the upper ocean stratification (build-up and decay of a halocline), deep ocean convection, and the large-scale convergence of ocean heat transport. The similarity between the OHT of our coupled system and that of Earth leads us to believe that multiple equilibria could be a feature of the real climate system. Paleoclimate
Electronic states of coupled graphene nanoribbons
NASA Astrophysics Data System (ADS)
Hashimoto, Futo; Mori, Nobuya; Kubo, Osamu; Katayama, Mitsuhiro
2017-04-01
Electronic states of laterally coupled graphene nanoribbons (GNRs) have been calculated within a nearest-neighbor tight-binding approximation with varying inter-GNR coupling strength γ from γ = 0 to t (intra-GNR transfer integral). For a coupled zigzag-edge GNR array, both almost flat bands and anisotropic Dirac cones appear near the Fermi level. For a coupled armchair-edge GNR array with a ribbon width N = 3n or 3n + 1, the system is semiconducting with a finite bandgap at γ = 0, which decreases as γ increases. For N = 3n, it becomes metallic with a zero bandgap only at γ = t. On the other hand, for N = 3n + 1, it becomes metallic when γ ≥ t/2. At γ = t/2, a peculiar energy dispersion emerges; the energy dispersion is parabolic perpendicular to the GNR axis and linear parallel to the GNR axis. When N = 3n + 2, the system is always metallic regardless of γ.
High-accuracy optical clock based on the octupole transition in 171Yb+.
Huntemann, N; Okhapkin, M; Lipphardt, B; Weyers, S; Tamm, Chr; Peik, E
2012-03-02
We experimentally investigate an optical frequency standard based on the 467 nm (642 THz) electric-octupole reference transition (2)S(1/2)(F=0)→(2)F(7/2)(F=3) in a single trapped (171)Yb(+) ion. The extraordinary features of this transition result from the long natural lifetime and from the 4f(13)6s(2) configuration of the upper state. The electric-quadrupole moment of the (2)F(7/2) state is measured as -0.041(5)ea(0)(2), where e is the elementary charge and a(0) the Bohr radius. We also obtain information on the differential scalar and tensorial components of the static polarizability and of the probe-light-induced ac Stark shift of the octupole transition. With a real-time extrapolation scheme that eliminates this shift, the unperturbed transition frequency is realized with a fractional uncertainty of 7.1×10(-17). The frequency is measured as 642 121 496 772 645.15(52) Hz.
Non-Axial Octupole Deformations and Tetrahedral Symmetry in Heavy Nuclei
Mazurek, Katarzyna; Dudek, Jerzy
2005-11-21
The total energies of about 120 nuclei in the Thorium region have been calculated within the macroscopic-microscopic method in the 5-dimensional space of deformation parameters {alpha}20, {alpha}22, {alpha}30, {alpha}32 and {alpha}40. The macroscopic energy term contains the nuclear surface-curvature dependence as proposed within the LSD approach. The microscopic energies are calculated with the Woods-Saxon single particle potential employing the universal set of parameters.We study a possible presence of the octupole axial and non-axial degrees of freedom all-over in the ({beta}, {gamma})-plane focussing on the ground-states, secondary minima and in the saddle points. In fact, a competition between axial and tri-axial octupole deformation parameters is obtained at the saddle points and in the secondary minima for many isotones with N > 136. The presence of the tetrahedral symmetry minima is predicted in numerous nuclei in the discussed region, although most of the time at relatively high excitation energies.
Crystallization of Ca+ ions in a linear rf octupole ion trap
NASA Astrophysics Data System (ADS)
Okada, Kunihiro; Yasuda, Kazuhiro; Takayanagi, Toshinobu; Wada, Michiharu; Schuessler, Hans A.; Ohtani, Shunsuke
2007-03-01
A laser-cooling experiment with Ca+ ions trapped in a linear rf octupole ion trap is presented. The phase transition of the laser-cooled Ca+ ions from the cloud to the crystal state is observed by an abrupt dip of the laser-induced fluorescence spectrum and indicates that mK temperatures are obtained. We have also performed molecular dynamics simulations under various conditions to confirm this property by deducing axially symmetric structures of Coulomb crystals and by evaluating the translational temperatures of the laser-cooled ions. The simulation results show that for small numbers of ions novel ring-shaped crystals are produced. As the number of ions is increased, cylindrical layers in the ring crystal are sequentially formed. For more than 100 ions, also hexagonal and spiral structures emerge in parts of the large-size ion crystal, which has a length on the order of millimeters for the present geometrical arrangement and voltages. An advantage of the linear rf octupole trap is its large almost-field-free region in the middle of the trap, where the micromotion amplitude is small for trapped ions. These results demonstrate that such a multipole trap has attractive features for quantum computing and ultracold ion-atom collision studies.
Symmetry-broken states on networks of coupled oscillators
NASA Astrophysics Data System (ADS)
Jiang, Xin; Abrams, Daniel M.
2016-05-01
When identical oscillators are coupled together in a network, dynamical steady states are often assumed to reflect network symmetries. Here, we show that alternative persistent states may also exist that break the symmetries of the underlying coupling network. We further show that these symmetry-broken coexistent states are analogous to those dubbed "chimera states," which can occur when identical oscillators are coupled to one another in identical ways.
Chimera-type states induced by local coupling
NASA Astrophysics Data System (ADS)
Clerc, M. G.; Coulibaly, S.; Ferré, M. A.; García-Ñustes, M. A.; Rojas, R. G.
2016-05-01
Coupled oscillators can exhibit complex self-organization behavior such as phase turbulence, spatiotemporal intermittency, and chimera states. The latter corresponds to a coexistence of coherent and incoherent states apparently promoted by nonlocal or global coupling. Here we investigate the existence, stability properties, and bifurcation diagram of chimera-type states in a system with local coupling without different time scales. Based on a model of a chain of nonlinear oscillators coupled to adjacent neighbors, we identify the required attributes to observe these states: local coupling and bistability between a stationary and an oscillatory state close to a homoclinic bifurcation. The local coupling prevents the incoherent state from invading the coherent one, allowing concurrently the existence of a family of chimera states, which are organized by a homoclinic snaking bifurcation diagram.
Chimera-type states induced by local coupling.
Clerc, M G; Coulibaly, S; Ferré, M A; García-Ñustes, M A; Rojas, R G
2016-05-01
Coupled oscillators can exhibit complex self-organization behavior such as phase turbulence, spatiotemporal intermittency, and chimera states. The latter corresponds to a coexistence of coherent and incoherent states apparently promoted by nonlocal or global coupling. Here we investigate the existence, stability properties, and bifurcation diagram of chimera-type states in a system with local coupling without different time scales. Based on a model of a chain of nonlinear oscillators coupled to adjacent neighbors, we identify the required attributes to observe these states: local coupling and bistability between a stationary and an oscillatory state close to a homoclinic bifurcation. The local coupling prevents the incoherent state from invading the coherent one, allowing concurrently the existence of a family of chimera states, which are organized by a homoclinic snaking bifurcation diagram.
Rotation induced octupole correlations in the neutron-deficient 109Te nucleus
NASA Astrophysics Data System (ADS)
de Angelis, G.; Fahlander, C.; Gadea, A.; Farnea, E.; Bazzacco, D.; Belcari, N.; Blasi, N.; Bizzeti, P. G.; Bizzeti-Sona, A.; de Acuña, D.; de Poli, M.; Grawe, H.; Johnson, A.; Lo Bianco, G.; Lunardi, S.; Napoli, D. R.; Nyberg, J.; Pavan, P.; Persson, J.; Rossi Alvarez, C.; Rudolph, D.; Schubart, R.; Spolaore, P.; Wyss, R.; Xu, F.
1998-10-01
High spin states in the neutron deficient nucleus 109Te have been populated with the 58Ni+54Fe reaction at 220 MeV and investigated through γ-spectroscopy methods at the GASP spectrometer making use of reaction channel selection with the ISIS Si-ball. The level scheme has been extended up to an excitation energy of ~12.1 MeV. The spins and parities of the observed levels are assigned tentatively supporting the identification of two bands of opposite parity connected by strong dipole transitions inferred to be of E1 character. Octupole correlations in 109Te induced by rotation are suggested as the cause of this effect.
Imperfect traveling chimera states induced by local synaptic gradient coupling
NASA Astrophysics Data System (ADS)
Bera, Bidesh K.; Ghosh, Dibakar; Banerjee, Tanmoy
2016-07-01
In this paper, we report the occurrence of chimera patterns in a network of neuronal oscillators, which are coupled through local, synaptic gradient coupling. We discover a new chimera pattern, namely the imperfect traveling chimera state, where the incoherent traveling domain spreads into the coherent domain of the network. Remarkably, we also find that chimera states arise even for one-way local coupling, which is in contrast to the earlier belief that only nonlocal, global, or nearest-neighbor local coupling can give rise to chimera state; this find further relaxes the essential connectivity requirement of getting a chimera state. We choose a network of identical bursting Hindmarsh-Rose neuronal oscillators, and we show that depending upon the relative strength of the synaptic and gradient coupling, several chimera patterns emerge. We map all the spatiotemporal behaviors in parameter space and identify the transitions among several chimera patterns, an in-phase synchronized state, and a global amplitude death state.
Imperfect traveling chimera states induced by local synaptic gradient coupling.
Bera, Bidesh K; Ghosh, Dibakar; Banerjee, Tanmoy
2016-07-01
In this paper, we report the occurrence of chimera patterns in a network of neuronal oscillators, which are coupled through local, synaptic gradient coupling. We discover a new chimera pattern, namely the imperfect traveling chimera state, where the incoherent traveling domain spreads into the coherent domain of the network. Remarkably, we also find that chimera states arise even for one-way local coupling, which is in contrast to the earlier belief that only nonlocal, global, or nearest-neighbor local coupling can give rise to chimera state; this find further relaxes the essential connectivity requirement of getting a chimera state. We choose a network of identical bursting Hindmarsh-Rose neuronal oscillators, and we show that depending upon the relative strength of the synaptic and gradient coupling, several chimera patterns emerge. We map all the spatiotemporal behaviors in parameter space and identify the transitions among several chimera patterns, an in-phase synchronized state, and a global amplitude death state.
NLC Collimation Study Update: Performance with Tail Folding Octupoles (LCC-0118)
Drozhdin, A
2004-03-16
This note describes an update to the study of linear collider collimation system performance performed by the collimation task force and presented in [1, 2, 3]. In particular, the performance of the NLC collimation system with the addition of ''tail-folding'' octupoles is described. These octupoles allow the betatron collimation gaps to be opened by more than a factor of three. We present the optimized gap settings, the location of additional photon masks, and the resulting synchrotron-radiation collimation efficiency. The studies confirm that the tail-folding octupoles are efficient, give additional flexibility, and enhance the collimation system performance.
Chimera states in purely local delay-coupled oscillators.
Bera, Bidesh K; Ghosh, Dibakar
2016-05-01
We study the existence of chimera states in a network of locally coupled chaotic and limit-cycle oscillators. The necessary condition for chimera state in purely local coupled oscillators is discussed. At first, we numerically observe the existence of chimera or multichimera states in the locally coupled Hindmarsh-Rose neuron model. We find that delay time in the nonlinear local coupling reduces the domain of the coherent island in the parameter space of the synaptic coupling strength and time delay, and thus the coherent region can be completely eliminated once the time delay exceeds a certain threshold. We then consider another form of nonlinearity in the local coupling, and the existence of chimera states is observed in the time-delayed Mackey-Glass system and in a Van der Pol oscillator. We also discuss the effect of time delay in local coupling for the existence of chimera states in Mackey-Glass systems. The nonlinearity present in the coupling function plays a key role in the emergence of chimera or multichimera states. A phase diagram for the chimera state is identified over a wide parameter space.
Chimera states in purely local delay-coupled oscillators
NASA Astrophysics Data System (ADS)
Bera, Bidesh K.; Ghosh, Dibakar
2016-05-01
We study the existence of chimera states in a network of locally coupled chaotic and limit-cycle oscillators. The necessary condition for chimera state in purely local coupled oscillators is discussed. At first, we numerically observe the existence of chimera or multichimera states in the locally coupled Hindmarsh-Rose neuron model. We find that delay time in the nonlinear local coupling reduces the domain of the coherent island in the parameter space of the synaptic coupling strength and time delay, and thus the coherent region can be completely eliminated once the time delay exceeds a certain threshold. We then consider another form of nonlinearity in the local coupling, and the existence of chimera states is observed in the time-delayed Mackey-Glass system and in a Van der Pol oscillator. We also discuss the effect of time delay in local coupling for the existence of chimera states in Mackey-Glass systems. The nonlinearity present in the coupling function plays a key role in the emergence of chimera or multichimera states. A phase diagram for the chimera state is identified over a wide parameter space.
On quadrupole and octupole gravitational radiation in the ANK formalism
NASA Astrophysics Data System (ADS)
Kozameh, Carlos N.; Ortega, R. G.; Rojas, T. A.
2017-04-01
Following the approach of Adamo-Newman-Kozameh (ANK) we derive the equations of motion for the center of mass and intrinsic angular moment for isolated sources of gravitational waves in axially symmetric spacetimes. The original ANK formulation is generalized so that the angular momentum coincides with the Komar integral for a rotational Killing symmetry. This is done using the Winicour-Tamburino Linkages which yields the mass dipole-angular momentum tensor for the isolated sources. The ANK formalism then provides a complex worldline in a fiducial flat space to define the notions of center of mass and spin. The equations of motion are derived and then used to analyse a very simple astrophysical process where only quadrupole and octupole contributions are included. The results are then compared with those coming from the post newtonian approximation.
Search for two-phonon octupole excitations in 146Gd
NASA Astrophysics Data System (ADS)
Orce, J. N.; Kumar Raju, M.; Khumalo, N. A.; Dinoko, T. S.; Jones, P.; Bark, R. A.; Lawrie, E. A.; Majola, S. N. T.; Robledo, L. M.; Rubio, B.; Wiedeking, M.; Easton, J.; Khaleel, E. A.; Kheswa, B. V.; Kheswa, N.; Herbert, M. S.; Lawrie, J. J.; Masiteng, P. L.; Nchodu, M. R.; Ndayishimye, J.; Negi, D.; Noncolela, S. P.; Ntshangase, S. S.; Papka, P.; Roux, D. G.; Shirinda, O.; Sithole, P. S.; Yates, S. W.
2016-06-01
The low-spin structure of the nearly spherical nucleus 146Gd was studied using the 144Sm(4He, 2n) fusion-evaporation reaction. High-statistics γ - γ coincidence measurements were performed at iThemba LABS with 7× 109 γ- γ coincidence events recorded. Gated γ-ray energy spectra show evidence for the 6+2 → 3-1 → 0+1 cascade of E3 transitions in agreement with recent findings by Caballero and co-workers, but with a smaller branching ratio of I_{γ} = 4.7(10) for the 6+2 → 3-1 1905.1 keV γ ray. Although these findings may support octupole vibrations in spherical nuclei, sophisticated beyond mean-field calculations including angular-momentum projection are required to interpret in an appropriate way the available data due to the failure of the rotational model assumptions in this nucleus.
Plasma resistivity measurements in the Wisconsin levitated octupole
Brouchous, D. A.
1980-11-01
Resistivity measurements parallel to the magnetic field were made on gun injected plasmas ranging in density from 10/sup 9/cm/sup -3/ to 10/sup 1/parallelcm/sup -3/ in the Wisconsin levitated octupole with toroidal and poloidal magnetic fields. The 10/sup 9/cm/sup -3/ plasma was collisionless with lambda/sub mfp/ > 100 mirror lengths, had T/sub e/ = 10 eV, T/sub i/ = 30 eV and was found to have anomalous resistivity scaling like eta = ..sqrt..T/sub e//n/sub e/ when E/sub parallel/ > E/su c/ is the Dreicer critical field. The 10/sup 12/cm/sup -3/ plasma was collisional with lambda/sub mfp/ < mirror length, had T/sub e/ = T/sub i/ approx. = .2 eV and was found to have Spitzer resistivity when E/sub parallel/ < E/sub c/.
Simulations of octupole compensation of head-tail instability at the Tevatron
Meiqin Xiao; Tanaji Sen; Frank Schmidts
2003-05-28
The proton lifetime in the Tevatron depends sensitively on chromaticities. Too low chromaticities can make the beam unstable due to the weak head-tail instability. One way to compensate this effect is to introduce octupoles to create a larger amplitude dependent betatron tune spread. However, the use of octupoles will also introduce additional side effects such as second order chromaticity, differential tune shifts and chromaticities on both proton and anti-proton helices. The non-linear effects may also reduce the dynamic aperture. There are 67 octupoles in 4 different circuits in the Tevatron which may be used for this purpose. We report on a simulation study to find the best combinations of polarities and strengths of the octupoles.
Search for stable octupole deformation in the nucleus /sup 225/Fr
Burke, D.G.; Kurcewicz, W.; Loevhoeiden, G.; Nyboe, K.; Thorsteinsen, T.F.; Gietz, H.; Kaffrell, N.; Rogowski, J.; Naumann, R.A.; Borge, M.J.G.; and others
1987-12-10
The level structure of /sup 225/Fr has been studied from the /sup 225/Rn(..beta../sup -/) decay in on-line experiments at the ISOLDE facility. A level scheme was constructed on the basis of gamma--gamma coincidence data, and the multipolarities of many transitions were established by conversion electron measurements. Levels in /sup 225/Fr were also studied with the /sup 226/Ra(t,..cap alpha..)/sup 225/Fr reaction at the McMaster University Accelerator Laboratory, using a target of /sup 226/Ra(T/sub 1/2/ = 1600y) and a magnetic spectrograph to analyze the alpha spectra. The first three excited states, at 28.5, 82.5 and 128.2 keV, are interpreted as rotational band members based on the ground state, which is known to have I = 3/2. The (t,..cap alpha..) strengths to these levels indicate a 3/2/sup -/(532) assignment to the ground state. No evidence for an octupole deformation in /sup 225/Fr has been found so far, although analysis of data for other excited states is continuing.
Basin stability measure of different steady states in coupled oscillators
Rakshit, Sarbendu; Bera, Bidesh K.; Majhi, Soumen; Hens, Chittaranjan; Ghosh, Dibakar
2017-01-01
In this report, we investigate the stabilization of saddle fixed points in coupled oscillators where individual oscillators exhibit the saddle fixed points. The coupled oscillators may have two structurally different types of suppressed states, namely amplitude death and oscillation death. The stabilization of saddle equilibrium point refers to the amplitude death state where oscillations are ceased and all the oscillators converge to the single stable steady state via inverse pitchfork bifurcation. Due to multistability features of oscillation death states, linear stability theory fails to analyze the stability of such states analytically, so we quantify all the states by basin stability measurement which is an universal nonlocal nonlinear concept and it interplays with the volume of basins of attractions. We also observe multi-clustered oscillation death states in a random network and measure them using basin stability framework. To explore such phenomena we choose a network of coupled Duffing-Holmes and Lorenz oscillators which are interacting through mean-field coupling. We investigate how basin stability for different steady states depends on mean-field density and coupling strength. We also analytically derive stability conditions for different steady states and confirm by rigorous bifurcation analysis. PMID:28378760
Investigation into chromophore excited-state coupling in allophycocyanin
NASA Astrophysics Data System (ADS)
Zheng, Xiguang; Zhao, Fuli; Wang, He Z.; Gao, Zhaolan; Yu, Zhenxin; Zhu, Jinchang; Xia, Andong; Jiang, Lijin
1994-08-01
Both theoretical and experimental studies are presented on chromophore excited-state coupling in linker-free allophycocyanin (APC), one of the antenna phycobiliproteins in algal photosynthesis. A three-site-coupling model has been introduced to describe the exciton interaction mechanism amoung the excited (beta) chromophore in APC, and the exciton energy splitting is estimated. Picosecond polarized fluorescence experiments both on monomeric and trimeric APC isolated from alga Spirulina platensis have been performed. The experimental results show that APC monomer and trimer exhibit remarkedly different spectropic characteristics, and satisfy the suggestion of strong excited- state coupling among chromophores in APC.
Different kinds of chimera death states in nonlocally coupled oscillators
NASA Astrophysics Data System (ADS)
Premalatha, K.; Chandrasekar, V. K.; Senthilvelan, M.; Lakshmanan, M.
2016-05-01
We investigate the significance of nonisochronicity parameter in a network of nonlocally coupled Stuart-Landau oscillators with symmetry breaking form. We observe that the presence of nonisochronicity parameter leads to structural changes in the chimera death region while varying the strength of the interaction. This gives rise to the existence of different types of chimera death states such as multichimera death state, type I periodic chimera death (PCD) state, and type II periodic chimera death state. We also find that the number of periodic domains in both types of PCD states decreases exponentially with an increase of coupling range and obeys a power law under nonlocal coupling. Additionally, we also analyze the structural changes of chimera death states by reducing the system of dynamical equations to a phase model through the phase reduction. We also briefly study the role of nonisochronicity parameter on chimera states, where the existence of a multichimera state with respect to the coupling range is pointed out. Moreover, we also analyze the robustness of the chimera death state to perturbations in the natural frequencies of the oscillators.
Different kinds of chimera death states in nonlocally coupled oscillators.
Premalatha, K; Chandrasekar, V K; Senthilvelan, M; Lakshmanan, M
2016-05-01
We investigate the significance of nonisochronicity parameter in a network of nonlocally coupled Stuart-Landau oscillators with symmetry breaking form. We observe that the presence of nonisochronicity parameter leads to structural changes in the chimera death region while varying the strength of the interaction. This gives rise to the existence of different types of chimera death states such as multichimera death state, type I periodic chimera death (PCD) state, and type II periodic chimera death state. We also find that the number of periodic domains in both types of PCD states decreases exponentially with an increase of coupling range and obeys a power law under nonlocal coupling. Additionally, we also analyze the structural changes of chimera death states by reducing the system of dynamical equations to a phase model through the phase reduction. We also briefly study the role of nonisochronicity parameter on chimera states, where the existence of a multichimera state with respect to the coupling range is pointed out. Moreover, we also analyze the robustness of the chimera death state to perturbations in the natural frequencies of the oscillators.
Observation of the Nuclear Magnetic Octupole Moment of 137Ba+
NASA Astrophysics Data System (ADS)
Hoffman, Matthew
Single trapped ions are ideal systems in which to test atomic physics at high precision, which can in turn be used for searches for violations of fundamental symmetries and physics beyond the standard model, in addition to quantum computation and a number of other applications. The ion is confined in ultra-high vacuum, is laser cooled to mK temperatures, and kept well isolated from the environment which allows these experimental efforts. In this thesis, a few diagnostic techniques will be discussed, covering a method to measure the linewidth of a narrowband laser in the presence of magnetic field noise, as well as a procedure to measure the ion's temperature using such a narrowband laser. This work has led to two precision experiments to measure atomic structure in 138Ba+, and 137Ba+ discussed here. First, employing laser and radio frequency spectroscopy techniques in 138Ba+, we measured the Lande- gJ factor of the 5D5/2 level at the part-per-million level, the highest precision to date. Later, the development of apparatus to efficiently trap and laser cool 137Ba+ has enabled a measurement of the hyperfine splittings of the 5D3/2 manifold, culminating in the observation of the nuclear magnetic octupole moment of 137Ba+.
Evidence for octupole vibration in the superdeformed well of {sup 190}Hg from eurogam
Crowell, B.; Carpenter, M.P.; Janssens, R.V.F.
1995-08-01
Gammasphere experiments in 1993-94 brought to light the existence of an excited superdeformed (SD) band in {sup 190}Hg with the unusual property of decaying entirely to the lowest (yrast) SD band over 3-4 transitions, rather than to the normally deformed states as is usually the case in the A {approximately} 150 and A {approximately} 190 regions of superdeformation. Although M1 transitions between signature-partner SD bands were previously observed in {sup 193}Hg, no such mechanism was available to explain the situation in the even-even nucleus {sup 190}Hg, whose yrast SD band has no signature partner. The best explanation appears to lie in long-standing theoretical predictions that the SD minimum in the potential energy surface would be quite soft with respect to octupole vibrations. This would lead to enhanced E1 transitions connecting the one-phonon and zero-phonon states. The data and this interpretation were published. A shortcoming of the Gammasphere experiments was that they did not allow the definitive measurement of the energies of the gamma-ray transitions connecting the two bands, due to the very weak population of the excited band ({approximately}0.05% of the {sup 190}Hg channel) and also partly, we believed, to the angular distributions of the transitions, which were peaked near 90 degrees, where Gammasphere had few detectors.
Experimental multistable states for small network of coupled pendula
Dudkowski, Dawid; Grabski, Juliusz; Wojewoda, Jerzy; Perlikowski, Przemyslaw; Maistrenko, Yuri; Kapitaniak, Tomasz
2016-01-01
Chimera states are dynamical patterns emerging in populations of coupled identical oscillators where different groups of oscillators exhibit coexisting synchronous and incoherent behaviors despite homogeneous coupling. Although these states are typically observed in the large ensembles of oscillators, recently it has been shown that so-called weak chimera states may occur in the systems with small numbers of oscillators. Here, we show that similar multistable states demonstrating partial frequency synchronization, can be observed in simple experiments with identical mechanical oscillators, namely pendula. The mathematical model of our experiment shows that the observed multistable states are controlled by elementary dynamical equations, derived from Newton’s laws that are ubiquitous in many physical and engineering systems. Our finding suggests that multistable chimera-like states are observable in small networks relevant to various real-world systems. PMID:27445038
Experimental multistable states for small network of coupled pendula
NASA Astrophysics Data System (ADS)
Dudkowski, Dawid; Grabski, Juliusz; Wojewoda, Jerzy; Perlikowski, Przemyslaw; Maistrenko, Yuri; Kapitaniak, Tomasz
2016-07-01
Chimera states are dynamical patterns emerging in populations of coupled identical oscillators where different groups of oscillators exhibit coexisting synchronous and incoherent behaviors despite homogeneous coupling. Although these states are typically observed in the large ensembles of oscillators, recently it has been shown that so-called weak chimera states may occur in the systems with small numbers of oscillators. Here, we show that similar multistable states demonstrating partial frequency synchronization, can be observed in simple experiments with identical mechanical oscillators, namely pendula. The mathematical model of our experiment shows that the observed multistable states are controlled by elementary dynamical equations, derived from Newton’s laws that are ubiquitous in many physical and engineering systems. Our finding suggests that multistable chimera-like states are observable in small networks relevant to various real-world systems.
The coupled states approximation for scattering of two diatoms
NASA Technical Reports Server (NTRS)
Heil, T. G.; Kouri, D. J.; Green, S.
1978-01-01
The paper presents a detailed development of the coupled-states approximation for the general case of two colliding diatomic molecules. The high-energy limit of the exact Lippman-Schwinger equation is applied, and the analysis follows the Shimoni and Kouri (1977) treatment of atom-diatom collisions where the coupled rotor angular momentum and projection replace the single diatom angular momentum and projection. Parallels to the expression for the differential scattering amplitude, the opacity function, and the nondiagonality of the T matrix are reported. Symmetrized expressions and symmetrized coupled equations are derived. The present correctly labeled coupled-states theory is tested by comparing its calculated results with other computed results for three cases: H2-H2 collisions, ortho-para H2-H2 scattering, and H2-HCl.
Nature of Collective Dipole and Octupole Transitions in Neutron-Rich Barium Isotopes
NASA Astrophysics Data System (ADS)
Bucher, B.; Zhu, S.; ANL, LBNL, LLNL, Rochester, FSU, Liverpool, Maryland, Notre Dame, Ohio, W. Scotland Collaboration
2016-09-01
Recently, a direct measurement of octupole strength in 144Ba was carried out via Coulomb excitation with a radioactive beam from Argonne's CARIBU facility using GRETINA and CHICO2. The results verify the presence of enhanced octupole collectivity in this isotope, as predicted by theory. In the neighboring isotope 146Ba, however, the importance of octupole correlations is more uncertain. Specifically, the electric dipole strength, expected to be closely correlated with the octupole one, displays what is perhaps the most significant drop in strength between neighboring isotopes of any medium- to heavy-mass nuclei. To address this puzzling question, a Coulomb excitation experiment was also performed on 146Ba under the same conditions. The new measurement yields an enhanced octupole strength of the same magnitude as that observed in 144Ba. This supports the notion that the strong-weak dipole behavior in this region results from the unique single-particle structure characteristic of Z 56 and N 90 in the presence of a pear-shaped mean-field potential. This work is supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357 (ANL), DE-AC02-05CH11231 (LBNL, GRETINA), DOE DE-AC52-07NA27344 (LLNL), and NSF.
Multiple steady states in coupled flow tank reactors
NASA Astrophysics Data System (ADS)
Hunt, Katharine L. C.; Kottalam, J.; Hatlee, Michael D.; Ross, John
1992-05-01
Coupling between continuous-flow, stirred tank reactors (CSTR's), each having multiple steady states, can produce new steady states with different concentrations of the chemical species in each of the coupled tanks. In this work, we identify a kinetic potential ψ that governs the deterministic time evolution of coupled tank reactors, when the reaction mechanism permits a single-variable description of the states of the individual tanks; examples include the iodate-arsenous acid reaction, a cubic model suggested by Noyes, and two quintic models. Stable steady states correspond to minima of ψ, and unstable steady states to maxima or saddle points; marginally stable states typically correspond to saddle-node points. We illustrate the variation in ψ due to changes in the rate constant for external material intake (k0) and for exchange between tanks (kx). For fixed k0 values, we analyze the changes in numbers and types of steady states as kx increases from zero. We show that steady states disappear by pairwise coalescence; we also show that new steady states may appear with increasing kx, when the reaction mechanism is sufficiently complex. For fixed initial conditions, the steady state ultimately reached in a mixing experiment may depend on the exchange rate constant as a function of time, kx(t) : Adiabatic mixing is obtained in the limit of slow changes in kx(t) and instantaneous mixing in the limit as kx(t)→∞ while t remains small. Analyses based on the potential ψ predict the outcome of mixing experiments for arbitrary kx(t). We show by explicit counterexamples that a prior theory developed by Noyes does not correctly predict the instability points or the transitions between steady states of coupled tanks, to be expected in mixing experiments. We further show that the outcome of such experiments is not connected to the relative stability of steady states in individual tank reactors. We find that coupling may effectively stabilize the tanks. We provide
Multi-headed chimera states in coupled pendula
NASA Astrophysics Data System (ADS)
Jaros, P.; Borkowski, L.; Witkowski, B.; Czolczynski, K.; Kapitaniak, T.
2015-07-01
We discuss the occurrence of the chimera states in the network of coupled, excited by the clock's mechanisms pendula. We find the patterns of multi-headed chimera states in which pendula clustered in different heads behave differently (oscillate with different frequencies) and create different types of synchronous states (complete or phase synchronization). The mathematical model of the network shows that the observed chimera states are controlled by elementary dynamical equations derived from the Newton's laws that are ubiquitous in many physical and engineering systems.
Locally coupled coherent states and Herman-Kluk dynamics
NASA Astrophysics Data System (ADS)
Child, M. S.; Shalashilin, D. V.
2003-02-01
An exact analysis of coupled coherent state (CCS) theory in the moving locally quadratic Hamiltonian approximation is shown to reproduce both the linearized coherent state matrix element of the Herman-Kluk propagator and the coherent state overlap with Heller's thawed Gaussian wave function. The derivation is applicable to anharmonic as well as harmonic systems, because the quadratic approximation is taken to apply only in the vicinity of a particular classical trajectory. New compact expressions for the linearized Herman-Kluk coherent state matrix element are given, and improvements for the practical application of CCS theory are discussed.
The Coupling State of an Idealized Stable Boundary Layer
NASA Astrophysics Data System (ADS)
Acevedo, Otávio C.; Costa, Felipe D.; Degrazia, Gervásio A.
2012-10-01
The coupling state between the surface and the top of the stable boundary layer (SBL) is investigated using four different schemes to represent the turbulent exchange. An idealized SBL is assumed, with fixed wind speed and temperature at its top. At the surface, two cases are considered, first a constant temperature, 20 K lower than the SBL top, and later a constant 2 K h-1 cooling rate is assumed for 10 h after a neutral initial condition. The idealized conditions have been chosen to isolate the influence of the turbulence formulations on the coupling state, and the intense stratification has the purpose of enhancing such a response. The formulations compared are those that solve a prognostic equation for turbulent kinetic energy (TKE) and those that directly prescribe turbulence intensity as a function of atmospheric stability. Two TKE formulations are considered, with and without a dependence of the exchange coefficients on stability, while short and long tail stability functions (SFs) are also compared. In each case, the dependence on the wind speed at the SBL top is considered and it is shown that, for all formulations, the SBL experiences a transition from a decoupled state to a coupled state at an intermediate value of mechanical forcing. The vertical profiles of potential temperature, wind speed and turbulence intensity are shown as a function of the wind speed at the SBL top, both for the decoupled and coupled states. The formulation influence on the coupling state is analyzed and it is concluded that, in general, the simple TKE formulation has a better response, although it also tends to overestimate turbulent mixing. The consequences are discussed.
Probing scalar coupling differences via long-lived singlet states
NASA Astrophysics Data System (ADS)
DeVience, Stephen J.; Walsworth, Ronald L.; Rosen, Matthew S.
2016-01-01
We probe small scalar coupling differences via the coherent interactions between two nuclear spin singlet states in organic molecules. We show that the spin-lock induced crossing (SLIC) technique enables the coherent transfer of singlet order between one spin pair and another. The transfer is mediated by the difference in syn and anti vicinal or long-range J couplings among the spins. By measuring the transfer rate, we calculate a J coupling difference of 8 ± 2 mHz in phenylalanine-glycine-glycine and 2.57 ± 0.04 Hz in glutamate. We also characterize a coherence between two singlet states in glutamate, which may enable the creation of a long-lived quantum memory.
Specifications of the octupole magnets required for the ATF2 ultra-low ß* lattice
Marin, E.; Modena, M.; Tauchi, T.; Terunuma, N.; Tomas, R.; White, G.R.; /SLAC
2014-05-28
The Accelerator Test Facility 2 (ATF2) aims to test the novel chromaticity correction for higher chromaticity lattices as the one of CLIC. To this end the ATF2 ultra-low ß* lattice is designed to vertically focus the beam at the focal point or usually referred to as interaction point (IP), down to 23 nm. However when the measured multipole components of the ATF2 magnets are considered in the simulations, the evaluated spot sizes at the IP are well above the design value. The designed spot size is effectively recovered by inserting a pair of octupole magnets. In this note we address the technical specifications required for these octupole magnets.
Pfaffian states in coupled atom-cavity systems
NASA Astrophysics Data System (ADS)
Hayward, Andrew L. C.; Martin, Andrew M.
2016-05-01
Coupled atom-cavity arrays, such as those described by the Jaynes-Cummings-Hubbard model, have the potential to emulate a wide range of condensed-matter phenomena. In particular, the strongly correlated states of the fractional quantum Hall effect can be realized. At some filling fractions, the fraction quantum Hall effect has been shown to possess ground states with non-Abelian excitations. The most well studied of these states is the Pfaffian state of Moore and Read G. Moore and N. Read, Nucl. Phys. B 360, 362 (1991), 10.1016/0550-3213(91)90407-O, which is the ground state of a Hall liquid with a three-body interaction. We show how an effective three-body interaction can be generated within the cavity QED framework, and that a Pfaffian-like ground state of these systems exists.
Resonant photonic States in coupled heterostructure photonic crystal waveguides.
Cox, Jd; Sabarinathan, J; Singh, Mr
2010-02-09
In this paper, we study the photonic resonance states and transmission spectra of coupled waveguides made from heterostructure photonic crystals. We consider photonic crystal waveguides made from three photonic crystals A, B and C, where the waveguide heterostructure is denoted as B/A/C/A/B. Due to the band structure engineering, light is confined within crystal A, which thus act as waveguides. Here, photonic crystal C is taken as a nonlinear photonic crystal, which has a band gap that may be modified by applying a pump laser. We have found that the number of bound states within the waveguides depends on the width and well depth of photonic crystal A. It has also been found that when both waveguides are far away from each other, the energies of bound photons in each of the waveguides are degenerate. However, when they are brought close to each other, the degeneracy of the bound states is removed due to the coupling between them, which causes these states to split into pairs. We have also investigated the effect of the pump field on photonic crystal C. We have shown that by applying a pump field, the system may be switched between a double waveguide to a single waveguide, which effectively turns on or off the coupling between degenerate states. This reveals interesting results that can be applied to develop new types of nanophotonic devices such as nano-switches and nano-transistors.
Detecting Majorana nonlocality using strongly coupled Majorana bound states
NASA Astrophysics Data System (ADS)
Rubbert, S.; Akhmerov, A. R.
2016-09-01
Majorana bound states (MBS) differ from the regular zero energy Andreev bound states in their nonlocal properties, since two MBS form a single fermion. We design strategies for detection of this nonlocality by using the phenomenon of Coulomb-mediated Majorana coupling in a setting which still retains falsifiability and does not require locally separated MBS. Focusing on the implementation of MBS based on the quantum spin Hall effect, we also design a way to probe Majoranas without the need to open a magnetic gap in the helical edge states. In the setup that we analyze, long range MBS coupling manifests in the h /e magnetic flux periodicity of tunneling conductance and supercurrent. While h /e is also the periodicity of Aharonov-Bohm effect and persistent current, we show how to ensure its Majorana origin by verifying that switching off the charging energy restores h /2 e periodicity conventional for superconducting systems.
Ground state magnetic response of two coupled dodecahedra
NASA Astrophysics Data System (ADS)
Konstantinidis, N. P.
2016-01-01
The antiferromagnetic Heisenberg model on the dodecahedron possesses a number of ground state magnetization discontinuities in a field at the classical and quantum level, even though it lacks magnetic anisotropy. Here the model is considered for two dodecahedra coupled antiferromagnetically along one of their faces, as a first step to determine the magnetic response of collections of fullerene molecules. The magnetic response is determined from the competition among the intra-, interdodecahedral exchange and magnetic field energies. At the classical level the discontinuities of the isolated dodecahedron are renormalized by the interdodecahedral coupling, while new ones show up, with the maximum number of ground state discontinuities being six for a specific range of the coupling. In the full quantum limit where the individual spin magnitude s=\\frac{1}{2} , there are two ground state discontinuities originating in the single discontinuity of the isolated dodecahedron, and another one due to the intermolecular coupling, generating a total of three discontinuities which come one right after the other. These results show that the magnetic response of more than one dodecahedra interacting together is quite richer than the one of a single dodecahedron.
Ground state magnetic response of two coupled dodecahedra.
Konstantinidis, N P
2016-01-13
The antiferromagnetic Heisenberg model on the dodecahedron possesses a number of ground state magnetization discontinuities in a field at the classical and quantum level, even though it lacks magnetic anisotropy. Here the model is considered for two dodecahedra coupled antiferromagnetically along one of their faces, as a first step to determine the magnetic response of collections of fullerene molecules. The magnetic response is determined from the competition among the intra-, interdodecahedral exchange and magnetic field energies. At the classical level the discontinuities of the isolated dodecahedron are renormalized by the interdodecahedral coupling, while new ones show up, with the maximum number of ground state discontinuities being six for a specific range of the coupling. In the full quantum limit where the individual spin magnitude [Formula: see text], there are two ground state discontinuities originating in the single discontinuity of the isolated dodecahedron, and another one due to the intermolecular coupling, generating a total of three discontinuities which come one right after the other. These results show that the magnetic response of more than one dodecahedra interacting together is quite richer than the one of a single dodecahedron.
Papas, Brian N; Schuurman, Michael S; Yarkony, David R
2008-09-28
A self-consistent procedure for constructing a quasidiabatic Hamiltonian representing N(state) coupled electronic states in the vicinity of an arbitrary point in nuclear coordinate space is described. The matrix elements of the Hamiltonian are polynomials of arbitrary order. Employing a crude adiabatic basis, the coefficients of the linear terms are determined exactly using analytic gradient techniques. The remaining polynomial coefficients are determined from the normal form of a system of pseudolinear equations, which uses energy gradient and derivative coupling information obtained from reliable multireference configuration interaction wave functions. In a previous implementation energy gradient and derivative coupling information were employed to limit the number of nuclear configurations at which ab initio data were required to determine the unknown coefficients. Conversely, the key aspect of the current approach is the use of ab initio data over an extended range of nuclear configurations. The normal form of the system of pseudolinear equations is introduced here to obtain a least-squares fit to what would have been an (intractable) overcomplete set of data in the previous approach. This method provides a quasidiabatic representation that minimizes the residual derivative coupling in a least-squares sense, a means to extend the domain of accuracy of the diabatic Hamiltonian or refine its accuracy within a given domain, and a way to impose point group symmetry and hermiticity. These attributes are illustrated using the 1 (2)A(1) and 1 (2)E states of the 1-propynyl radical, CH(3)CC.
Signature of nonadiabatic coupling in excited-state vibrational modes.
Soler, Miguel A; Nelson, Tammie; Roitberg, Adrian E; Tretiak, Sergei; Fernandez-Alberti, Sebastian
2014-11-13
Using analytical excited-state gradients, vibrational normal modes have been calculated at the minimum of the electronic excited-state potential energy surfaces for a set of extended conjugated molecules with different coupling between them. Molecular model systems composed of units of polyphenylene ethynylene (PPE), polyphenylenevinylene (PPV), and naphthacene/pentacene (NP) have been considered. In all cases except the NP model, the influence of the nonadiabatic coupling on the excited-state equilibrium normal modes is revealed as a unique highest frequency adiabatic vibrational mode that overlaps with the coupling vector. This feature is removed by using a locally diabatic representation in which the effect of NA interaction is removed. Comparison of the original adiabatic modes with a set of vibrational modes computed in the locally diabatic representation demonstrates that the effect of nonadiabaticity is confined to only a few modes. This suggests that the nonadiabatic character of a molecular system may be detected spectroscopically by identifying these unique state-specific high frequency vibrational modes.
Hackman, G.; Khoo, T.L.; Carpenter, M.P.; Lauritsen, T.; Calderin, I.J.; Janssens, R.V.; Ackermann, D.; Ahmad, I.; Agarwala, S.; Blumenthal, D.J.; Fischer, S.M.; Nisius, D.; Reiter, P.; Young, J.; Amro, H.; Lopez-Martens, A.; Hannachi, F.; Korichi, A.; Amro, H.; Moore, E.F.; Lee, I.Y.; Macchiavelli, A.O.; Do Nakatsukasa, T.
1997-11-01
An excited superdeformed band in {sup 194}Hg , observed to decay directly to both normal-deformed and superdeformed yrast states, is proposed to be a K{sup {pi}}=2{sup {minus}} octupole vibrational band, based on its excitation energies, spins, and likely parity. The transition energies are identical to those of the yrast superdeformed band in {sup 192}Hg , but originate from levels with different spins and parities. The evolution of transition energies with spin suggests that cancellations between pairing and particle alignment are partly responsible for the identical transition energies. {copyright} {ital 1997} {ital The American Physical Society}
Transient and steady state modelling of a coupled WECS
NASA Astrophysics Data System (ADS)
Nathan, G. K.; Tan, J. K.
The paper presents a method for simulation of a wind turbine using a dc motor. The armature and field voltages of the dc motor are independently regulated to obtain torque-speed characteristics which correspond to those of a wind turbine at different wind speeds. The mass moment of inertia of the wind turbine is represented by adding a rotating mass to a parallel shaft which is positively coupled to the motor shaft. To verify the method of simulation, an American multiblade wind turbine is chosen, loaded by coupling to a centrifugal pump. Using the principle of conservation of energy and characteristics of both constituent units, two mathematical models are proposed: one for steady state operation and another for the transient state. The close comparison between the theoretical and the experimental results validates the proposed models and the method of simulation. The experimental method is described and the results of the experimental and theoretical investigation are presented.
Coupled channels calculation of a piLAMBDAN quasibound state
Garcilazo, H.; Gal, A.
2010-05-15
We extend the study of a J{sup P}=2{sup +},I=3/2, piLAMBDAN quasibound state [Phys. Rev. D 78, 014013 (2008)] by solving nonrelativistic Faddeev equations, using {sup 3}S{sub 1}-{sup 3}D{sub 1}, LAMBDAN-SIGMAN coupled channels chiral quark model local interactions, and piN and coupled piLAMBDA-piSIGMA separable interactions fitted to the position and decay parameters of the DELTA(1232) and SIGMA(1385) resonances, respectively. The results exhibit a strong sensitivity to the p-wave pion-hyperon interaction, with a piLAMBDAN quasibound state persisting over a wide range of acceptable parametrizations.
Harmonic coupling of steady-state visual evoked potentials.
Krusienski, Dean J; Allison, Brendan Z
2008-01-01
Steady-state visual evoked potentials (SSVEPs) are oscillating components of the electroencephalogram (EEG) that are detected over the occipital areas, having frequencies corresponding to visual stimulus frequencies. SSVEPs have been demonstrated to be reliable control signals for operating a brain-computer interface (BCI). This study uses offline analyses to investigate the characteristics of SSVEP harmonic amplitude and phase coupling and the impact of using this information to construct a matched filter for continuously tracking the signal.
Asymptotic normalization of mirror states and the effect of couplings
Titus, L. J.; Nunes, F. M.; Capel, P.
2011-09-15
Assuming that the ratio between asymptotic normalization coefficients of mirror states is model independent, charge symmetry can be used to indirectly extract astrophysically relevant proton capture reactions on proton-rich nuclei based on information on stable isotopes. The assumption has been tested for light nuclei within the microscopic cluster model. In this work we explore the Hamiltonian independence of the ratio between asymptotic normalization coefficients of mirror states when deformation and core excitation is introduced in the system. For this purpose we consider a phenomenological rotor+N model where the valence nucleon is subject to a deformed mean field and the core is allowed to excite. We apply the model to {sup 8}Li/{sup 8}B, {sup 13}C/{sup 13}N, {sup 17}O/{sup 17}F, {sup 23}Ne/{sup 23}Al, and {sup 27}Mg/{sup 27}P. Our results show that, for most studied cases, the ratio between asymptotic normalization coefficients of mirror states is independent of the strength and multipolarity of the couplings induced. The exception is for cases in which there is an s-wave coupled to the ground state of the core, the proton system is loosely bound, and the states have large admixture with other configurations. We discuss the implications of our results for novae.
Selective protected state preparation of coupled dissipative quantum emitters
Plankensteiner, D.; Ostermann, L.; Ritsch, H.; Genes, C.
2015-01-01
Inherent binary or collective interactions in ensembles of quantum emitters induce a spread in the energy and lifetime of their eigenstates. While this typically causes fast decay and dephasing, in many cases certain special entangled collective states with minimal decay can be found, which possess ideal properties for spectroscopy, precision measurements or information storage. We show that for a specific choice of laser frequency, power and geometry or a suitable configuration of control fields one can efficiently prepare these states. We demonstrate this by studying preparation schemes for strongly subradiant entangled states of a chain of dipole-dipole coupled emitters. The prepared state fidelity and its entanglement depth is further improved via spatial excitation phase engineering or tailored magnetic fields. PMID:26549501
Note: Excited State Studies of Ozone using State-Specific Multireference Coupled Cluster Methods
Bhaskaran-Nair, Kiran; Kowalski, Karol
2012-12-07
Vertical excitation energies obtained with state-specific multi-reference coupled cluster (MRCC) methods are reported for the ozone molecule. Using state-specific MRCC non-iterative methods with singles, doubles, and non-iterative triples (MRCCSD(T)) we obtain 4.40 eV for the challenging doubly excited 21A1 state when using a reliable model space. This estimate is in good agreement with experiment (4.5 eV). We also compare our MRCC results with the excitation energies obtained with high-order equation-of-motion coupled cluster methods
Multiple climate and sea ice states on a coupled Aquaplanet
NASA Astrophysics Data System (ADS)
Rose, B.; Ferreira, D.; Marshall, J.
2010-12-01
A fully coupled atmosphere-ocean-sea ice GCM is used to explore the climates of Earth-like planets with no continents and idealized ocean basin geometries. We find three qualitatively different stable equilibria under identical external forcing: an equable ice-free climate, a cold climate with ice caps extending into mid-latitudes, and a completely ice-covered "Snowball" state. These multiple states persist for millennia with no drift despite a full seasonal cycle and vigorous internal variability of the system on all time scales. The behavior of the coupled system is rationalized through an extension of the Budyko-Sellers model to include explicit ocean heat transport (OHT), and the insulation of the ice-covered sea surface. Sensitivity tests are also conducted with a slab ocean GCM with prescribed OHT. From these we conclude that albedo feedback and ocean circulation both play essential roles in the maintenance of the multiple states. OHT in the coupled system is dominated by a wind-driven subtropical cell carrying between 2 and 3 PW of thermal energy out of the deep tropics, most of which converges in the subtropics to lower mid-latitudes. This convergence pattern (similar to modern Earth) is robust to changes in the ocean basin geometry, and is directly responsible for the stabilization of the large ice cap. OHT also plays an essential but indirect role in the maintenance of the ice-free pole in the warm states, by driving an enhanced poleward atmospheric latent heat flux. The hysteresis loop for transitions between the warm and large ice cap states spans a much smaller range of parameter space (e.g. ±1.8% variations in solar constant) than the transitions in and out of the Snowball. Three qualitatively different climate states for the same external forcing in a coupled GCM: ice-free, large ice cap, and Snowball. SST and sea ice thickness are plotted. Similar results are found in a pure Aquaplanet (lower) and a "RidgeWorld" with a global-scale ocean basin
Hot bending with a fiber coupled solid state laser
NASA Astrophysics Data System (ADS)
Bammer, F.; Schumi, T.; Schuöcker, D.
2010-09-01
For bending of brittle materials it is necessary to heat up the forming zone. This can be done with a fiber coupled solid state laser, whose beam is evenly distributed on the bending line with a beam splitter installed in the lower tool (die) of a bending press. With polarization optics the laser beam is divided there into partial beams that are evenly distributed on the bending line with lenses and prisms. A setup for a bending length of 200mm heated by a fiber-coupled 3kW Nd:YAG-laser shows the feasibility of the concept. Successful operation was shown for the Mg-alloy AZ31, which breaks during forming at room temperature, but can be well formed at temperatures in the range of 200-300°C. Other materials benefiting from this method are Ti-alloys, high-strength-Al-alloys, and high-strength-steels. Typical heating times are in the range of up to 5s and much of the heat input is generated during the bending operation where the laser continues to work. Laser Assisted Bending with a fiber coupled solid state laser is a straightforward way to perform the bending of brittle materials in a process as simple as cold bending.
Direct state reconstruction with coupling-deformed pointer observables
NASA Astrophysics Data System (ADS)
Zhu, Xuanmin; Zhang, Yu-Xiang; Wu, Shengjun
2016-06-01
Direct state tomography (DST) using weak measurements has received wide attention. Based on the concept of coupling-deformed pointer observables presented by Zhang et al. [Y.-X. Zhang, S. Wu, and Z.-B. Chen, Phys. Rev. A 93, 032128 (2016), 10.1103/PhysRevA.93.032128], a modified direct state tomography (MDST) is proposed, examined, and compared with other typical state tomography schemes. MDST has exact validity for measurements of any strength. We identify the strength needed to attain the highest efficiency level of MDST by using statistical theory. MDST is much more efficient than DST in the sense that far fewer samples are needed to reach DST's level of reconstruction accuracy. Moreover, MDST has no inherent bias when compared to DST.
Coulomb excitation of states in 232Th
NASA Astrophysics Data System (ADS)
McGowan, F. K.; Milner, W. T.
1993-09-01
Twenty-five states in 232Th have been observed with 18 MeV 4He ions on a thick target. Eleven 2 + states between 774 and 1554 keV and three 3 - states are populated by direct E2 and E3, respectively. The remaining states are either weakly excited by multiple Coulomb excitation and/or populated by the decay of the directly excited states. Spin assignments are based on γ-ray angular distributions. Reduced transition probabilities have been deduced from the γ-ray yields. The B(E2) values for excitation of the 2 + states range from 0.024 to 3.5 W.u. (222 W.u. for the first 2 + state). For the 3 - states, the B(E3,0 → 3 -) values are 1.7, 11, and 24 W.u. A possible two-phonon state at 1554 keV, which is nearly harmonic, decays to four members of the one-phonon states, to the ground-state band, and to the K = 0 - octupole band. The B(E2) value for excitation of this state is 0.66 ± 0.05 W.u. and the B(E1) values for decay of this state are (2 and 6)×10 -4 W.u. The B(E2) values between two- and one-phonon vibrational states range between 16 and 53 W.u. which are an order of magnitude larger than the B(E2) values between the one- and zero-phonon states. This disagrees with our present understanding of collectivity in nuclei if this 2 + state is considered to be a collective two-phonon excitation. The 2 + states at 1477 and 1387 keV, which are also nearly harmonic, are possible candidates with two-phonon structure. The agreement between the experimental results and the microscopic calculations by Neergård and Vogel of the B(E3,0 → 3) for the 3 - members of the one-phonon octupole quadruplet is satisfactory when the Coriolis coupling between the states with K and K ± 1 is included. The B(E1) branching ratios for transitions from the 3 - and 1 - states to the ground-state band have large deviations from the Alaga-rule predictions. These deviations can be understood by the strong Coriolis coupling between the states of the octupole quadruplet in deformed nuclei.
Synchronized chaos and other coherent states for two coupled neurons
NASA Astrophysics Data System (ADS)
Pasemann, Frank
1999-04-01
The parametrized time-discrete dynamics of two recurrently coupled chaotic neurons is investigated. Basic dynamical features of this system are demonstrated for symmetric couplings of identical neurons. Periodic as well as chaotic orbits constrained to a manifold M of synchronized states are observed. Parameter domains for locally stable synchronization manifolds M are determined by numerical simulations. In addition to the synchronized dynamics there often co-exist periodic, quasiperiodic and even chaotic attractors representing different kinds of non-synchronous coherent dynamics. Simulation results for selected sets of parameters are presented, and synchronization conditions for systems with non-identical neurons are derived. Also these more general systems inherit the above-mentioned dynamical properties.
Coupling of Large Amplitude Inversion with Other States
NASA Astrophysics Data System (ADS)
Pearson, John; Yu, Shanshan
2016-06-01
The coupling of a large amplitude motion with a small amplitude vibration remains one of the least well characterized problems in molecular physics. Molecular inversion poses a few unique and not intuitively obvious challenges to the large amplitude motion problem. In spite of several decades of theoretical work numerous challenges in calculation of transition frequencies and more importantly intensities persist. The most challenging aspect of this problem is that the inversion coordinate is a unique function of the overall vibrational state including both the large and small amplitude modes. As a result, the r-axis system and the meaning of the K-quantum number in the rotational basis set are unique to each vibrational state of large or small amplitude motion. This unfortunate reality has profound consequences to calculation of intensities and the coupling of nearly degenerate vibrational states. The case of NH3 inversion and inversion through a plane of symmetry in alcohols will be examined to find a general path forward.
Spatial splay states and splay chimera states in coupled map lattices
NASA Astrophysics Data System (ADS)
Singha, Joydeep; Gupte, Neelima
2016-11-01
We study the existence and stability of splay states in the coupled sine circle map lattice system using analytic and numerical techniques. The splay states are observed for very low values of the nonlinearity parameter, i.e., for maps which deviate very slightly from the shift map case. We also observe that depending on the parameters of the system the splay state bifurcates to a mixed or chimera splay state consisting of a mixture of splay and synchronized states, together with kinks in the phases of some of the maps and then to a stable globally synchronized state. We show that these pure states and the mixed states are all temporally chaotic for our systems, and we explore the stability of these states to perturbations. Our studies may provide pointers to the behavior of systems in diverse application contexts such as Josephson junction arrays and chemical oscillations.
Brabec, Jiri; Banik, Subrata; Kowalski, Karol; Pittner, Jiří
2016-10-28
The implementation details of the universal state-selective (USS) multi-reference coupled cluster (MRCC) formalism with singles and doubles (USS(2)) are discussed on the example of several benchmark systems. We demonstrate that the USS(2) formalism is capable of improving accuracies of state specific multi-reference coupled-cluster (MRCC) methods based on the Brillouin-Wigner and Mukherjee’s sufficiency conditions. Additionally, it is shown that the USS(2) approach significantly alleviates problems associated with the lack of invariance of MRCC theories upon the rotation of active orbitals. We also discuss the perturbative USS(2) formulations that significantly reduce numerical overhead of the full USS(2) method.
Room temperature skyrmion ground state stabilized through interlayer exchange coupling
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.
Reconstructing the dark energy equation of state with varying couplings
Avelino, P. P.; Martins, C. J. A. P.; Nunes, N. J.; Olive, K. A.
2006-10-15
We revisit the idea of using varying couplings to probe the nature of dark energy, in particular, by reconstructing its equation of state. We show that for the class of models studied this method can be far superior to the standard methods (using type Ia supernovae or weak lensing). We also show that the simultaneous use of measurements of the fine-structure constant {alpha} and the electron-to-proton mass ratio {mu} allows a direct probe of grand unification scenarios. We present forecasts for the sensitivity of this method, both for the near future and for the next generation of spectrographs--for the latter we focus on the planned CODEX instrument for ESO's Extremely Large Telescope (formerly known as OWL). A high-accuracy reconstruction of the equation of state may be possible all the way up to redshift z{approx}4.
Chimera states in coupled Kuramoto oscillators with inertia
Olmi, Simona
2015-12-15
The dynamics of two symmetrically coupled populations of rotators is studied for different values of the inertia. The system is characterized by different types of solutions, which all coexist with the fully synchronized state. At small inertia, the system is no more chaotic and one observes mainly quasi-periodic chimeras, while the usual (stationary) chimera state is not anymore observable. At large inertia, one observes two different kind of chaotic solutions with broken symmetry: the intermittent chaotic chimera, characterized by a synchronized population and a population displaying a turbulent behaviour, and a second state where the two populations are both chaotic but whose dynamics adhere to two different macroscopic attractors. The intermittent chaotic chimeras are characterized by a finite life-time, whose duration increases as a power-law with the system size and the inertia value. Moreover, the chaotic population exhibits clear intermittent behavior, displaying a laminar phase where the two populations tend to synchronize, and a turbulent phase where the macroscopic motion of one population is definitely erratic. In the thermodynamic limit, these states survive for infinite time and the laminar regimes tends to disappear, thus giving rise to stationary chaotic solutions with broken symmetry contrary to what observed for chaotic chimeras on a ring geometry.
Chimera states in coupled Kuramoto oscillators with inertia
NASA Astrophysics Data System (ADS)
Olmi, Simona
2015-12-01
The dynamics of two symmetrically coupled populations of rotators is studied for different values of the inertia. The system is characterized by different types of solutions, which all coexist with the fully synchronized state. At small inertia, the system is no more chaotic and one observes mainly quasi-periodic chimeras, while the usual (stationary) chimera state is not anymore observable. At large inertia, one observes two different kind of chaotic solutions with broken symmetry: the intermittent chaotic chimera, characterized by a synchronized population and a population displaying a turbulent behaviour, and a second state where the two populations are both chaotic but whose dynamics adhere to two different macroscopic attractors. The intermittent chaotic chimeras are characterized by a finite life-time, whose duration increases as a power-law with the system size and the inertia value. Moreover, the chaotic population exhibits clear intermittent behavior, displaying a laminar phase where the two populations tend to synchronize, and a turbulent phase where the macroscopic motion of one population is definitely erratic. In the thermodynamic limit, these states survive for infinite time and the laminar regimes tends to disappear, thus giving rise to stationary chaotic solutions with broken symmetry contrary to what observed for chaotic chimeras on a ring geometry.
Identification of the Jπ=1- state in 218Ra populated via α decay of 222Th
NASA Astrophysics Data System (ADS)
Parr, E.; Smith, J. F.; Greenlees, P. T.; Smolen, M.; Papadakis, P.; Auranen, K.; Chapman, R.; Cullen, D. M.; Grahn, T.; Grocutt, L.; HerzáÅ, A.; Herzberg, R.-D.; Hodge, D.; Jakobsson, U.; Julin, R.; Juutinen, S.; Konki, J.; Leino, M.; McPeake, C.; Mengoni, D.; Mistry, A. K.; Mulholland, K. F.; O'Neill, G. G.; Pakarinen, J.; Partanen, J.; Peura, P.; Rahkila, P.; Ruotsalainen, P.; Sandzelius, M.; Sarén, J.; Scheck, M.; Scholey, C.; Sorri, J.; Stolze, S.; Taylor, M. J.; Uusitalo, J.
2016-07-01
The α decay of 222Th populating the low-lying Jπ=3- state, and also a proposed 1- state, in 218Ra has been observed. The observations suggest an excitation energy of 853 keV for the 1- state, which is 60 keV above the 3- state. The hindrance factors of these α decays give a possible boundary to the region of ground-state octupole deformation in the light-actinide nuclei. The relative positions of the Jπ=1- and 3- states suggest they are produced by an octupole-vibrational mechanism, as opposed to α clustering or rotations of a reflection-asymmetric octupole-deformed shape.
Arctic Cloud-driven Mixed Layers and Surface Coupling State
NASA Astrophysics Data System (ADS)
Shupe, M.; Persson, O. P.; Solomon, A.; de Boer, G.
2013-12-01
Arctic low-level clouds interact with the atmosphere and underlying surface via many inter-related processes. The balance of cloud radiative warming and cooling effects imparts a strong control on the net surface energy budget. Cloud-driven atmospheric circulations can impact surface turbulent heat fluxes and influence the vertical mixing of atmospheric state parameters and aerosols. Large-scale advection of heat and moisture provides the background context within which these local interactions unfold. Importantly, these radiative, dynamical, and advective processes also contribute to a complex web of self-sustaining cloud processes that can promote cloud maintenance over long periods of time. We examine many of these processes, with a specific focus on the dynamical linkages between Arctic clouds and the surface that influence low-level atmospheric structure and mixing. Comprehensive, ground-based observations from meteorological towers, remote-sensors, and radiosondes are used to simultaneously characterize surface fluxes, atmospheric structure, cloud properties, in-cloud motions, and the depth of the cloud-driven mixed layer in multiple Arctic environments. Relationships among these parameters are explored to elucidate the properties of the system that determine the degree of vertical atmospheric mixing and the coupling state between cloud and surface. The influence of temperature and moisture inversions on this system is also explored. Transitions in the coupling state are utilized to illustrate the relative roles of different processes. Cases from a coastal Arctic site at Barrow, Alaska and a station embedded in the Arctic sea-ice pack are used to contrast conditional influences related to season and surface type. It is found that over sea-ice, where surface turbulent fluxes are weak, the coupling of cloud-level processes to the surface layer is largely due to proximity of the cloud-driven mixed layer to the surface, which appears to be primarily influenced by
Global coupled sea ice-ocean state estimation
NASA Astrophysics Data System (ADS)
Fenty, Ian; Menemenlis, Dimitris; Zhang, Hong
2015-09-01
We study the impact of synthesizing ocean and sea ice concentration data with a global, eddying coupled sea ice-ocean configuration of the Massachusetts Institute of Technology general circulation model with the goal of reproducing the 2004 three-dimensional time-evolving ice-ocean state. This work builds on the state estimation framework developed in the Estimating the Circulation and Climate of the Ocean consortium by seeking a reconstruction of the global sea ice-ocean system that is simultaneously consistent with (1) a suite of in situ and remotely-sensed ocean and ice data and (2) the physics encoded in the numerical model. This dual consistency is successfully achieved here by adjusting only the model's initial hydrographic state and its atmospheric boundary conditions such that misfits between the model and data are minimized in a least-squares sense. We show that synthesizing both ocean and sea ice concentration data is required for the model to adequately reproduce the observed details of the sea ice annual cycle in both hemispheres. Surprisingly, only modest adjustments to our first-guess atmospheric state and ocean initial conditions are necessary to achieve model-data consistency, suggesting that atmospheric reanalysis products remain a leading source of errors for sea ice-ocean model hindcasts and reanalyses. The synthesis of sea ice data is found to ameliorate misfits in the high latitude ocean, especially with respect to upper ocean stratification, temperature, and salinity. Constraining the model to sea ice concentration modestly reduces ICESat-derived Arctic ice thickness errors by improving the temporal and spatial evolution of seasonal ice. Further increases in the accuracy of global sea ice thickness in the model likely require the direct synthesis of sea ice thickness data.
Entangled states decoherence in coupled molecular spin clusters
NASA Astrophysics Data System (ADS)
Troiani, Filippo; Szallas, Attila; Bellini, Valerio; Affronte, Marco
2010-03-01
Localized electron spins in solid-state systems are widely investigated as potential building blocks of quantum devices and computers. While most efforts in the field have been focused on semiconductor low-dimensional structures, molecular antiferromagnets were recently recognized as alternative implementations of effective few-level spin systems. Heterometallic, Cr-based spin rings behave as effective spin-1/2 systems at low temperature and show long decoherence times [1]; besides, they can be chemically linked and magnetically coupled in a controllable fascion [2]. Here, we theoretically investigate the decoherence of the Bell states in such ring dimers, resulting from hyperfine interactions with nuclear spins. Based on a microscopic description of the molecules [3], we simulate the effect of inhomogeneous broadening, spectral diffusion and electron-nuclear entanglement on the electron-spin coherence, estimating the role of the different nuclei (and of possible chemical substitutions), as well as the effect of simple spin-echo sequences. References: [1] F. Troiani, et al., Phys. Rev. Lett. 94, 207208 (2005). [2] G. A. Timco, S: Carretta, F. Troiani et al., Nature Nanotech. 4, 173 (2009). [3] F. Troiani, V. Bellini, and M. Affronte, Phys. Rev. B 77, 054428 (2008).
Altered neurovascular coupling during information-processing states.
Jones, Myles; Devonshire, Ian M; Berwick, Jason; Martin, Chris; Redgrave, Peter; Mayhew, John
2008-05-01
Brain imaging techniques rely on changes in blood flow, volume and oxygenation to infer the loci and magnitude of changes in activity. Although progress has been made in understanding the link between stimulus-evoked neural activity and haemodynamics, the extent to which neurovascular-coupling relationships remain constant during different states of baseline cortical activity is poorly understood. Optical imaging spectroscopy, laser Doppler flowmetry and electrophysiology were used to measure haemodynamics and neural activity in the barrel cortex of anaesthetized rats. The responses to stimulation of the whisker pad were recorded during quiescence and cortical desynchronization produced by stimulation of the brainstem. Cortical desynchronization was accompanied by increases in baseline blood flow, volume and oxygenation. Haemodynamic responses to low-frequency whisker stimuli (1 Hz) were attenuated during arousal compared with that observed during quiescence. During arousal it was possible to increase stimulus-evoked haemodynamics by increasing the frequency of the stimulus. Neural responses to low-frequency stimuli were also attenuated but to a far lesser extent than the reduction in the accompanying haemodynamics. In contrast, neuronal activity evoked by high-frequency stimuli (40 Hz) was enhanced during arousal, but induced haemodynamic responses of a similar magnitude compared with that observed for the same high-frequency stimulus presented during quiescence. These data suggest that there may be differences in stimulus-evoked neural activity and accompanying haemodynamics during different information-processing states.
Rescue of endemic states in interconnected networks with adaptive coupling
NASA Astrophysics Data System (ADS)
Vazquez, F.; Serrano, M. Ángeles; Miguel, M. San
2016-07-01
We study the Susceptible-Infected-Susceptible model of epidemic spreading on two layers of networks interconnected by adaptive links, which are rewired at random to avoid contacts between infected and susceptible nodes at the interlayer. We find that the rewiring reduces the effective connectivity for the transmission of the disease between layers, and may even totally decouple the networks. Weak endemic states, in which the epidemics spreads when the two layers are interconnected but not in each layer separately, show a transition from the endemic to the healthy phase when the rewiring overcomes a threshold value that depends on the infection rate, the strength of the coupling and the mean connectivity of the networks. In the strong endemic scenario, in which the epidemics is able to spread on each separate network –and therefore on the interconnected system– the prevalence in each layer decreases when increasing the rewiring, arriving to single network values only in the limit of infinitely fast rewiring. We also find that rewiring amplifies finite-size effects, preventing the disease transmission between finite networks, as there is a non zero probability that the epidemics stays confined in only one network during its lifetime.
Rescue of endemic states in interconnected networks with adaptive coupling.
Vazquez, F; Serrano, M Ángeles; Miguel, M San
2016-07-06
We study the Susceptible-Infected-Susceptible model of epidemic spreading on two layers of networks interconnected by adaptive links, which are rewired at random to avoid contacts between infected and susceptible nodes at the interlayer. We find that the rewiring reduces the effective connectivity for the transmission of the disease between layers, and may even totally decouple the networks. Weak endemic states, in which the epidemics spreads when the two layers are interconnected but not in each layer separately, show a transition from the endemic to the healthy phase when the rewiring overcomes a threshold value that depends on the infection rate, the strength of the coupling and the mean connectivity of the networks. In the strong endemic scenario, in which the epidemics is able to spread on each separate network -and therefore on the interconnected system- the prevalence in each layer decreases when increasing the rewiring, arriving to single network values only in the limit of infinitely fast rewiring. We also find that rewiring amplifies finite-size effects, preventing the disease transmission between finite networks, as there is a non zero probability that the epidemics stays confined in only one network during its lifetime.
Rescue of endemic states in interconnected networks with adaptive coupling
Vazquez, F.; Serrano, M. Ángeles; Miguel, M. San
2016-01-01
We study the Susceptible-Infected-Susceptible model of epidemic spreading on two layers of networks interconnected by adaptive links, which are rewired at random to avoid contacts between infected and susceptible nodes at the interlayer. We find that the rewiring reduces the effective connectivity for the transmission of the disease between layers, and may even totally decouple the networks. Weak endemic states, in which the epidemics spreads when the two layers are interconnected but not in each layer separately, show a transition from the endemic to the healthy phase when the rewiring overcomes a threshold value that depends on the infection rate, the strength of the coupling and the mean connectivity of the networks. In the strong endemic scenario, in which the epidemics is able to spread on each separate network –and therefore on the interconnected system– the prevalence in each layer decreases when increasing the rewiring, arriving to single network values only in the limit of infinitely fast rewiring. We also find that rewiring amplifies finite-size effects, preventing the disease transmission between finite networks, as there is a non zero probability that the epidemics stays confined in only one network during its lifetime. PMID:27380771
Quantum dynamics in strong fields with Fermion Coupled Coherent States
NASA Astrophysics Data System (ADS)
Kirrander, Adam; Shalashilin, Dmitrii V.
2012-06-01
We present a new version of the Coupled Coherent State method, specifically adapted for solving the time-dependent Schr"odinger equation for multi-electron dynamics in atoms and molecules. This new theory takes explicit account of the exchange symmetry of fermion particles, and uses fermion molecular dynamics to propagate trajectories. As a demonstration, calculations in the He atom are performed using the full Hamiltonian and accurate experimental parameters. Single and double ionization yields by 160 fs and 780 nm laser pulses are calculated as a function of field intensity in the range 10^14 - 10^16 W/cm^2 and good agreement with experiments by Walker et al. is obtained. Since this method is trajectory based, mechanistic analysis of the dynamics is straightforward. We also calculate semiclassical momentum distributions for double ionization following 25 fs and 795 nm pulses at 1.5 10^15 W/cm^2, in order to compare to the detailed experiments by Rudenko et al. For this more challenging task, full convergence is not achieved, but however major effects such as the finger-like structures in the momentum distribution are reproduced.
A novel antiproton radial diagnostic based on octupole induced ballistic loss
Andresen, G. B.; Bowe, P. D.; Hangst, J. S.; Bertsche, W.; Butler, E.; Charlton, M.; Humphries, A. J.; Jenkins, M. J.; Joergensen, L. V.; Madsen, N.; Werf, D. P. van der; Bray, C. C.; Chapman, S.; Fajans, J.; Povilus, A.; Wurtele, J. S.; Cesar, C. L.; Lambo, R.; Silveira, D. M.; Fujiwara, M. C.
2008-03-15
We report results from a novel diagnostic that probes the outer radial profile of trapped antiproton clouds. The diagnostic allows us to determine the profile by monitoring the time history of antiproton losses that occur as an octupole field in the antiproton confinement region is increased. We show several examples of how this diagnostic helps us to understand the radial dynamics of antiprotons in normal and nested Penning-Malmberg traps. Better understanding of these dynamics may aid current attempts to trap antihydrogen atoms.
Bergeman, T.; Fellows, C.E.; Gutterres, R.F.; Amiot, C.
2003-05-01
Analysis and assignment of spectra involving the lowest excited states of the heavier alkali-metal atom dimers are complicated by the strong spin-orbit coupling elements. Here we report an analysis of the Fourier-transform spectroscopy data from laser-induced fluorescence of the coupled A {sup 1}{sigma}{sup +} and b {sup 3}{pi} states of RbCs, using the discrete variable representation. Fitted parameters are given and special effects due to strong coupling are discussed.
Chimera states and the interplay between initial conditions and non-local coupling
NASA Astrophysics Data System (ADS)
Kalle, Peter; Sawicki, Jakub; Zakharova, Anna; Schöll, Eckehard
2017-03-01
Chimera states are complex spatio-temporal patterns that consist of coexisting domains of coherent and incoherent dynamics. We study chimera states in a network of non-locally coupled Stuart-Landau oscillators. We investigate the impact of initial conditions in combination with non-local coupling. Based on an analytical argument, we show how the coupling phase and the coupling strength are linked to the occurrence of chimera states, flipped profiles of the mean phase velocity, and the transition from a phase- to an amplitude-mediated chimera state.
ERIC Educational Resources Information Center
Caetano, Raul; Ramisetty-Mikler, Suhasini; McGrath, Christine
2004-01-01
This article examines the 5-year association between acculturation, drinking, and male-to-female partner violence and female-to-male partner violence among Hispanic couples in the United States. A national representative sample of Hispanic couples 18 years of age or older was interviewed in 1995 and 2000. Both members of the couple were…
Construction and Operational Experience with a Superconducting Octupole Used to Trap Antihydrogen
Wanderer P.; Escallier, J.; Marone, A.; Parker, B.
2011-09-06
A superconducting octupole magnet has seen extensive service as part of the ALPHA experiment at CERN. ALPHA has trapped antihydrogen, a crucial step towards performing precision measurements of anti-atoms. The octupole was made at the Direct Wind facility by the Superconducting Magnet Division at Brookhaven National Laboratory. The magnet was wound with a six-around-one NbTi cable about 1 mm in diameter. It is about 300 mm long, with a radius of 25 mm and a peak field at the conductor of 4.04 T. Specific features of the magnet, including a minimal amount of material in the coil and coil ends with low multipole content, were advantageous to its use in ALPHA. The magnet was operated for six months a year for five years. During this time it underwent about 900 thermal cycles (between 4K and 100K). A novel operational feature is that during the course of data-taking the magnet was repeatedly shut off from its 950 A operating current. The magnet quenches during the shutoff, with a decay constant of 9 ms. Over the course of the five years, the magnet was deliberately quenched many thousands of times. It still performs well.
Cavity QED with magnetically coupled collective spin states.
Amsüss, R; Koller, Ch; Nöbauer, T; Putz, S; Rotter, S; Sandner, K; Schneider, S; Schramböck, M; Steinhauser, G; Ritsch, H; Schmiedmayer, J; Majer, J
2011-08-05
We report strong coupling between an ensemble of nitrogen-vacancy center electron spins in diamond and a superconducting microwave coplanar waveguide resonator. The characteristic scaling of the collective coupling strength with the square root of the number of emitters is observed directly. Additionally, we measure hyperfine coupling to (13)C nuclear spins, which is a first step towards a nuclear ensemble quantum memory. Using the dispersive shift of the cavity resonance frequency, we measure the relaxation time of the NV center at millikelvin temperatures in a nondestructive way.
Liu, Junzi; Zhang, Yong; Bao, Peng; Yi, Yuanping
2017-02-14
Electronic couplings of charge-transfer states with the ground state and localized excited states at the donor/acceptor interface are crucial parameters for controlling the dynamics of exciton dissociation and charge recombination processes in organic solar cells. Here we propose a quasi-adiabatic state approach to evaluate electronic couplings through combining maximum occupation method (mom)-ΔSCF and state diabatization schemes. Compared with time-dependent density functional theory (TDDFT) using global hybrid functional, mom-ΔSCF is superior to estimate the excitation energies of charge-transfer states; moreover it can also provide good excited electronic state for property calculation. Our approach is hence reliable to evaluate electronic couplings for excited state electron transfer processes, which is demonstrated by calculations on a typical organic photovoltaic system, oligothiophene/perylenediimide complex.
NASA Astrophysics Data System (ADS)
Bogomolov, Sergey A.; Slepnev, Andrei V.; Strelkova, Galina I.; Schöll, Eckehard; Anishchenko, Vadim S.
2017-02-01
We explore the bifurcation transition from coherence to incoherence in ensembles of nonlocally coupled chaotic systems. It is firstly shown that two types of chimera states, namely, amplitude and phase, can be found in a network of coupled logistic maps, while only amplitude chimera states can be observed in a ring of continuous-time chaotic systems. We reveal a bifurcation mechanism by analyzing the evolution of space-time profiles and the coupling function with varying coupling coefficient and formulate the necessary and sufficient conditions for realizing the chimera states in the ensembles.
NASA Astrophysics Data System (ADS)
Ghosh, Debarati; Banerjee, Tanmoy
2014-12-01
We report the transitions among different oscillation quenching states induced by the interplay of diffusive (direct) coupling and environmental (indirect) coupling in coupled identical oscillators. This coupling scheme was introduced by Resmi et al. [Phys. Rev. E 84, 046212 (2011), 10.1103/PhysRevE.84.046212] as a general scheme to induce amplitude death (AD) in nonlinear oscillators. Using a detailed bifurcation analysis we show that, in addition to AD, which actually occurs only in a small region of parameter space, this coupling scheme can induce other oscillation quenching states, namely oscillation death (OD) and a novel nontrvial AD (NAD) state, which is a nonzero bistable homogeneous steady state; more importantly, this coupling scheme mediates a transition from the AD state to the OD state and a new transition from the AD state to the NAD state. We identify diverse routes to the NAD state and map all the transition scenarios in the parameter space for periodic oscillators. Finally, we present the first experimental evidence of oscillation quenching states and their transitions induced by the interplay of direct and indirect coupling.
Examining the role of transfer coupling in sub-barrier fusion of Ti46,50+Sn124
Liang, J. Felix; Allmond, J. M.; Gross, C. J.; ...
2016-08-24
In this study, the presence of neutron transfer channels with positive Q values can enhance sub-barrier fusion cross sections. Recent measurements of the fusion excitation functions for 58Ni+132,124Sn found that the fusion enhancement due to the influence of neutron transfer is smaller than that in 40Ca +132,124Sn although the Q values for multineutron transfer are comparable. The purpose of this study is to investigate the differences observed between the fusion of Sn + Ni and Sn + Ca. Methods: Fusion excitation functions for 46,50Ti +124Sn have been measured at energies near the Coulomb barrier. As a result, a comparison ofmore » the barrier distributions for 46Ti+124Sn and 40Ca+124Sn shows that the 40Ca+124Sn system has a barrier strength resulting from the coupling to the very collective octupole state in 40Ca at an energy significantly lower than the uncoupled barrier. In conclusion, the large sub-barrier fusion enhancement in 40Ca induced reactions is attributed to both couplings to neutron transfer and inelastic excitation, with the octupole vibration of 40Ca playing a major role.« less
Examining the role of transfer coupling in sub-barrier fusion of Ti,5046+124Sn
NASA Astrophysics Data System (ADS)
Liang, J. F.; Allmond, J. M.; Gross, C. J.; Mueller, P. E.; Shapira, D.; Varner, R. L.; Dasgupta, M.; Hinde, D. J.; Simenel, C.; Williams, E.; Vo-Phuoc, K.; Brown, M. L.; Carter, I. P.; Evers, M.; Luong, D. H.; Ebadi, T.; Wakhle, A.
2016-08-01
Background: The presence of neutron transfer channels with positive Q values can enhance sub-barrier fusion cross sections. Recent measurements of the fusion excitation functions for 58Ni+Sn,124132 found that the fusion enhancement due to the influence of neutron transfer is smaller than that in 40Ca+Sn,124132 although the Q values for multineutron transfer are comparable. Purpose: To investigate the differences observed between the fusion of Sn + Ni and Sn + Ca. Methods: Fusion excitation functions for Ti,5046+124Sn have been measured at energies near the Coulomb barrier. Results: A comparison of the barrier distributions for 46Ti+124Sn and 40Ca+124Sn shows that the 40Ca+124Sn system has a barrier strength resulting from the coupling to the very collective octupole state in 40Ca at an energy significantly lower than the uncoupled barrier. Conclusions: The large sub-barrier fusion enhancement in 40Ca induced reactions is attributed to both couplings to neutron transfer and inelastic excitation, with the octupole vibration of 40Ca playing a major role.
Multistable states in a system of coupled phase oscillators with inertia
Yuan, Di; Lin, Fang; Wang, Limei; Liu, Danyang; Yang, Junzhong; Xiao, Yi
2017-01-01
We investigate the generalized Kuramoto model of globally coupled oscillators with inertia, in which oscillators with positive coupling strength are conformists and oscillators with negative coupling strength are contrarians. We consider the correlation between the coupling strengths of oscillators and the distributions of natural frequencies. Two different types of correlations are studied. It is shown that the model supports multistable synchronized states such as different types of travelling wave states, π state and another type of nonstationary state: an oscillating π state. The phase distribution oscillates in a confined region and the phase difference between conformists and contrarians oscillates around π periodically in the oscillating π state. The different types of travelling wave state may be characterized by the speed of travelling wave and the effective frequencies of oscillators. Finally, the bifurcation diagrams of the model in the parameter space are presented. PMID:28176829
Multistable states in a system of coupled phase oscillators with inertia
NASA Astrophysics Data System (ADS)
Yuan, Di; Lin, Fang; Wang, Limei; Liu, Danyang; Yang, Junzhong; Xiao, Yi
2017-02-01
We investigate the generalized Kuramoto model of globally coupled oscillators with inertia, in which oscillators with positive coupling strength are conformists and oscillators with negative coupling strength are contrarians. We consider the correlation between the coupling strengths of oscillators and the distributions of natural frequencies. Two different types of correlations are studied. It is shown that the model supports multistable synchronized states such as different types of travelling wave states, π state and another type of nonstationary state: an oscillating π state. The phase distribution oscillates in a confined region and the phase difference between conformists and contrarians oscillates around π periodically in the oscillating π state. The different types of travelling wave state may be characterized by the speed of travelling wave and the effective frequencies of oscillators. Finally, the bifurcation diagrams of the model in the parameter space are presented.
Tunable coupled states of a pair of Tamm plasmon polaritons and a microcavity mode
NASA Astrophysics Data System (ADS)
Fang, Yun-tuan; Yang, Li-xia; Kong, Wa; Zhu, Na
2013-12-01
The coupled states of a pair of Tamm plasmon polaritons and a microcavity mode are studied through the transfer matrix method in a metal-Bragg reflectors-cavity-Bragg reflectors-metal configuration. The properties of coupled states can be adjusted through the cavity thickness, but there is one coupled state for which the frequency remains the same as for the uncoupled Tamm plasmon polariton and independent of the cavity thickness. When the frequency of the uncoupled cavity mode is equal to that of the bare Tamm plasmon polariton, an anticrossing behavior with the most intense coupling occurs. There are three coupled modes with antisymmetry coupling and symmetry coupling in the anticrossing region. As cavity thickness increases, two coupled modes are degenerated into one state with frequency equal to that of the bare Tamm plasmon polariton. The third lower coupled mode and the uncoupled cavity mode are merged into one frequency by steps, but a huge amplification of field occurs in the cavity with the coupled mode. An analytical description is in good agreement with the numerical results.
Creating a duet: The Couples Life Story Approach in the United States and Japan.
Ingersoll-Dayton, Berit; Spencer, Beth; Campbell, Ruth; Kurokowa, Yukiko; Ito, Mio
2016-07-01
There is a global need for interventions that help couples who are dealing with dementia. This paper describes the way in which interventionists from the United States and Japan participated in the development of an intervention for dyads in which one person is experiencing memory loss. The 5-week intervention, the Couples Life Story Approach, helps dyads to reminisce about their life together as a couple, to work on their patterns of communication, and to develop a Life Story Book. Based on an analysis of cases conducted in the United States (n = 20 couples) and Japan (n = 9 couples), this paper highlights the cross-fertilization process that has occurred as interventionists from the two countries have shared their experiences with one another. Using case illustrations, the discussion focuses on the clinical themes that have emerged for couples in the United States and Japan.
Interlayer coupling through a dimensionality-induced magnetic state.
Gibert, M; Viret, M; Zubko, P; Jaouen, N; Tonnerre, J-M; Torres-Pardo, A; Catalano, S; Gloter, A; Stéphan, O; Triscone, J-M
2016-04-15
Dimensionality is known to play an important role in many compounds for which ultrathin layers can behave very differently from the bulk. This is especially true for the paramagnetic metal LaNiO3, which can become insulating and magnetic when only a few monolayers thick. We show here that an induced antiferromagnetic order can be stabilized in the [111] direction by interfacial coupling to the insulating ferromagnet LaMnO3, and used to generate interlayer magnetic coupling of a nature that depends on the exact number of LaNiO3 monolayers. For 7-monolayer-thick LaNiO3/LaMnO3 superlattices, negative and positive exchange bias, as well as antiferromagnetic interlayer coupling are observed in different temperature windows. All three behaviours are explained based on the emergence of a (¼,¼,¼)-wavevector antiferromagnetic structure in LaNiO3 and the presence of interface asymmetry with LaMnO3. This dimensionality-induced magnetic order can be used to tailor a broad range of magnetic properties in well-designed superlattice-based devices.
Interlayer coupling through a dimensionality-induced magnetic state
Gibert, M.; Viret, M.; Zubko, P.; Jaouen, N.; Tonnerre, J.-M.; Torres-Pardo, A.; Catalano, S.; Gloter, A.; Stéphan, O.; Triscone, J.-M.
2016-01-01
Dimensionality is known to play an important role in many compounds for which ultrathin layers can behave very differently from the bulk. This is especially true for the paramagnetic metal LaNiO3, which can become insulating and magnetic when only a few monolayers thick. We show here that an induced antiferromagnetic order can be stabilized in the [111] direction by interfacial coupling to the insulating ferromagnet LaMnO3, and used to generate interlayer magnetic coupling of a nature that depends on the exact number of LaNiO3 monolayers. For 7-monolayer-thick LaNiO3/LaMnO3 superlattices, negative and positive exchange bias, as well as antiferromagnetic interlayer coupling are observed in different temperature windows. All three behaviours are explained based on the emergence of a (¼,¼,¼)-wavevector antiferromagnetic structure in LaNiO3 and the presence of interface asymmetry with LaMnO3. This dimensionality-induced magnetic order can be used to tailor a broad range of magnetic properties in well-designed superlattice-based devices. PMID:27079668
High-spin octupole yrast levels in {sup 216}Rn{sub 86}
Debray, M.E.; Davidson, J.; Davidson, M.; Kreiner, A. J.; Cardona, M. A.; Hojman, D.; Napoli, D.R.; De Angelis, G.; De Poli, M.; Gadea, A.; Lenzi, S.; Bazzacco, D.; Lunardi, S.; Rossi-Alvarez, C.; Ur, C.A.; Medina, N.
2006-02-15
The yrast level structure of {sup 216}Rn has been studied using in-beam spectroscopy {alpha}-{gamma}-{gamma} coincidence techniques through the {sup 208}Pb({sup 18}O, 2{alpha}2n) reaction in the 91-93 MeV energy range, using the 8{pi} GASP-ISIS spectrometer at Legnaro. The level scheme of {sup 216}Rn resulting from this study shows alternating parity bands only above a certain excitation energy. From this result, the lightest nucleus showing evidence of octupole collectivity at low spins is still {sup 216}Fr, thereby defining the lowest-mass corner for this kind of phenomenon as N{>=}129 and Z{>=}87.
Robustness of chimera states for coupled FitzHugh-Nagumo oscillators
NASA Astrophysics Data System (ADS)
Omelchenko, Iryna; Provata, Astero; Hizanidis, Johanne; Schöll, Eckehard; Hövel, Philipp
2015-02-01
Chimera states are complex spatio-temporal patterns that consist of coexisting domains of spatially coherent and incoherent dynamics. This counterintuitive phenomenon was first observed in systems of identical oscillators with symmetric coupling topology. Can one overcome these limitations? To address this question, we discuss the robustness of chimera states in networks of FitzHugh-Nagumo oscillators. Considering networks of inhomogeneous elements with regular coupling topology, and networks of identical elements with irregular coupling topologies, we demonstrate that chimera states are robust with respect to these perturbations and analyze their properties as the inhomogeneities increase. We find that modifications of coupling topologies cause qualitative changes of chimera states: additional random links induce a shift of the stability regions in the system parameter plane, gaps in the connectivity matrix result in a change of the multiplicity of incoherent regions of the chimera state, and hierarchical geometry in the connectivity matrix induces nested coherent and incoherent regions.
Donor acceptor electronic couplings in π-stacks: How many states must be accounted for?
NASA Astrophysics Data System (ADS)
Voityuk, Alexander A.
2006-04-01
Two-state model is commonly used to estimate the donor-acceptor electronic coupling Vda for electron transfer. However, in some important cases, e.g. for DNA π-stacks, this scheme fails to provide accurate values of Vda because of multistate effects. The Generalized Mulliken-Hush method enables a multistate treatment of Vda. In this Letter, we analyze the dependence of calculated electronic couplings on the number of the adiabatic states included in the model. We suggest a simple scheme to determine this number. The superexchange correction of the two-state approximation is shown to provide good estimates of the electronic coupling.
Zelovich, Tamar; Kronik, Leeor; Hod, Oded
2015-10-13
We present insights into the lead-molecule coupling scheme in molecular electronics junctions. Using a "site-to-state" transformation that provides direct access to the coupling matrix elements between the molecular states and the eigenstate manifold of each lead, we find coupling bands whose character depends on the geometry and dimensionality of the lead. We use a standard tight-binding model to elucidate the origin of the coupling bands and explain their nature via simple "particle-in-a-box" type considerations. We further show that these coupling bands can shed light on the charge transport behavior of the junction. The picture presented in this study is not limited to the case of molecular electronics junctions and is relevant to any scenario where a finite molecular entity is coupled to a (semi)infinite system.
Multicluster and traveling chimera states in nonlocal phase-coupled oscillators.
Xie, Jianbo; Knobloch, Edgar; Kao, Hsien-Ching
2014-08-01
Chimera states consisting of domains of coherently and incoherently oscillating identical oscillators with nonlocal coupling are studied. These states usually coexist with the fully synchronized state and have a small basin of attraction. We propose a nonlocal phase-coupled model in which chimera states develop from random initial conditions. Several classes of chimera states have been found: (a) stationary multicluster states with evenly distributed coherent clusters, (b) stationary multicluster states with unevenly distributed clusters, and (c) a single cluster state traveling with a constant speed across the system. Traveling coherent states are also identified. A self-consistent continuum description of these states is provided and their stability properties analyzed through a combination of linear stability analysis and numerical simulation.
Faithful conditional quantum state transfer between weakly coupled qubits
Miková, M.; Straka, I.; Mičuda, M.; Krčmarský, V.; Dušek, M.; Ježek, M.; Fiurášek, J.; Filip, R.
2016-01-01
One of the strengths of quantum information theory is that it can treat quantum states without referring to their particular physical representation. In principle, quantum states can be therefore fully swapped between various quantum systems by their mutual interaction and this quantum state transfer is crucial for many quantum communication and information processing tasks. In practice, however, the achievable interaction time and strength are often limited by decoherence. Here we propose and experimentally demonstrate a procedure for faithful quantum state transfer between two weakly interacting qubits. Our scheme enables a probabilistic yet perfect unidirectional transfer of an arbitrary unknown state of a source qubit onto a target qubit prepared initially in a known state. The transfer is achieved by a combination of a suitable measurement of the source qubit and quantum filtering on the target qubit depending on the outcome of measurement on the source qubit. We experimentally verify feasibility and robustness of the transfer using a linear optical setup with qubits encoded into polarization states of single photons. PMID:27562544
Chimera and phase-cluster states in populations of coupled chemical oscillators
NASA Astrophysics Data System (ADS)
Tinsley, Mark R.; Nkomo, Simbarashe; Showalter, Kenneth
2012-09-01
Populations of coupled oscillators may exhibit two coexisting subpopulations, one with synchronized oscillations and the other with unsynchronized oscillations, even though all of the oscillators are coupled to each other in an equivalent manner. This phenomenon, discovered about ten years ago in theoretical studies, was then further characterized and named the chimera state after the Greek mythological creature made up of different animals. The highly counterintuitive coexistence of coherent and incoherent oscillations in populations of identical oscillators, each with an equivalent coupling structure, inspired great interest and a flurry of theoretical activity. Here we report on experimental studies of chimera states and their relation to other synchronization states in populations of coupled chemical oscillators. Our experiments with coupled Belousov-Zhabotinsky oscillators and corresponding simulations reveal chimera behaviour that differs significantly from the behaviour found in theoretical studies of phase-oscillator models.
First-order derivative couplings between excited states from adiabatic TDDFT response theory
Ou, Qi; Subotnik, Joseph E.; Bellchambers, Gregory D.; Furche, Filipp
2015-02-14
We present a complete derivation of derivative couplings between excited states in the framework of adiabatic time-dependent density functional response theory. Explicit working equations are given and the resulting derivative couplings are compared with derivative couplings from a pseudo-wavefunction ansatz. For degenerate excited states, i.e., close to a conical intersection (CI), the two approaches are identical apart from an antisymmetric overlap term. However, if the difference between two excitation energies equals another excitation energy, the couplings from response theory exhibit an unphysical divergence. This spurious behavior is a result of the adiabatic or static kernel approximation of time-dependent density functional theory leading to an incorrect analytical structure of the quadratic response function. Numerical examples for couplings close to a CI and for well-separated electronic states are given.
First-order derivative couplings between excited states from adiabatic TDDFT response theory.
Ou, Qi; Bellchambers, Gregory D; Furche, Filipp; Subotnik, Joseph E
2015-02-14
We present a complete derivation of derivative couplings between excited states in the framework of adiabatic time-dependent density functional response theory. Explicit working equations are given and the resulting derivative couplings are compared with derivative couplings from a pseudo-wavefunction ansatz. For degenerate excited states, i.e., close to a conical intersection (CI), the two approaches are identical apart from an antisymmetric overlap term. However, if the difference between two excitation energies equals another excitation energy, the couplings from response theory exhibit an unphysical divergence. This spurious behavior is a result of the adiabatic or static kernel approximation of time-dependent density functional theory leading to an incorrect analytical structure of the quadratic response function. Numerical examples for couplings close to a CI and for well-separated electronic states are given.
Approximating electronically excited states with equation-of-motion linear coupled-cluster theory
Byrd, Jason N. Rishi, Varun; Perera, Ajith; Bartlett, Rodney J.
2015-10-28
A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order Møller-Plesset partitioning of the Hamiltonian is used to obtain the well known equation-of-motion many-body perturbation theory equations and two new equation-of-motion methods based on the linear coupled-cluster doubles and linear coupled-cluster singles and doubles wavefunctions. These new methods are benchmarked against very accurate theoretical and experimental spectra from 25 small organic molecules. It is found that the proposed methods have excellent agreement with canonical equation-of-motion coupled-cluster singles and doubles state for state orderings and relative excited state energies as well as acceptable quantitative agreement for absolute excitation energies compared with the best estimate theory and experimental spectra.
Nonlinear steady-state coupling of LH waves
Ko, K.; Krapchev, V.B.
1981-02-01
The coupling of lower hybrid waves at the plasma edge by a two waveguide array with self-consistent density modulation is solved numerically. For a linear density profile, the governing nonlinear Klein-Gordon equation for the electric field can be written as a system of nonlinearly modified Airy equations in Fourier k/sub z/-space. Numerical solutions to the nonlinear system satisfying radiation condition are obtained. Spectra broadening and modifications to resonance cone trajectories are observed with increase of incident power.
Microscopic structure of high-spin vibrational states in superdeformed A=190 nuclei
Nakatsukasa, Takashi; Matsuyanagi, Kenichi; Mizutori, Shoujirou
1996-12-31
Microscopic RPA calculations based on the cranked shell model are performed to investigate the quadrupole and octupole correlations for excited superdeformed (SD) bands in even-even A=190 nuclei. The K = 2 octupole vibrations are predicted to be the lowest excitation modes at zero rotational frequency. The Coriolis coupling at finite frequency produces different effects depending on the neutron and proton number of nucleus. The calculations also indicate that some collective excitations may produce moments of inertia almost identical to those of the yrast SD band. An interpretation of the observed excited bands invoking the octupole vibrations is proposed, which suggests those octupole vibrations may be prevalent in even-even SD A=190 nuclei.
ERIC Educational Resources Information Center
Nnodum, B. I.; Ugwuegbulam, C. N.; Agbaenyi, I. G.
2016-01-01
This study is a descriptive survey that investigated the relationship between emotional intelligence and conflict resolution repertoire of couples in tertiary institutions. A sample of 250 married people were drawn from the population of couples in tertiary institutions in Imo State. Two researcher made and validated instruments were used in…
Shot noise in a quantum dot system coupled with Majorana bound states.
Chen, Qiao; Chen, Ke-Qiu; Zhao, Hong-Kang
2014-08-06
We investigate the spectral density of shot noise and current for the system of a quantum dot coupled to Majorana bound states (MBS) employing the nonequilibrium Green's function. The Majorana bound states at the end of the wire strongly affect the shot noise. There are two types of coupling in the system: dot-MBS and MBS-MBS coupling. The curves of shot noise and current versus coupling strength have novel steps owing to the energy-level splitting caused by dot-MBS coupling. The magnitude of these steps increases with the strength of dot-MBS coupling λ but decreases with the strength of MBS-MBS coupling. The steps shift toward the large ∣eV∣ region as λ or ϵ(M) increases. In addition, dot-MBS coupling enhances the shot noise while MBS-MBS coupling suppresses the shot noise. In the absence of MBS-MBS coupling, a sharp jump emerges in the curve of the Fano factor at zero bias owing to the differential conductance being reduced by a factor of 1/2. This provides a novel technique for the detection of Majorana fermions.
Shot noise in a quantum dot system coupled with Majorana bound states
NASA Astrophysics Data System (ADS)
Chen, Qiao; Chen, Ke-Qiu; Zhao, Hong-Kang
2014-08-01
We investigate the spectral density of shot noise and current for the system of a quantum dot coupled to Majorana bound states (MBS) employing the nonequilibrium Green’s function. The Majorana bound states at the end of the wire strongly affect the shot noise. There are two types of coupling in the system: dot-MBS and MBS-MBS coupling. The curves of shot noise and current versus coupling strength have novel steps owing to the energy-level splitting caused by dot-MBS coupling. The magnitude of these steps increases with the strength of dot-MBS coupling λ but decreases with the strength of MBS-MBS coupling. The steps shift toward the large ∣eV∣ region as λ or ɛM increases. In addition, dot-MBS coupling enhances the shot noise while MBS-MBS coupling suppresses the shot noise. In the absence of MBS-MBS coupling, a sharp jump emerges in the curve of the Fano factor at zero bias owing to the differential conductance being reduced by a factor of 1/2. This provides a novel technique for the detection of Majorana fermions.
NASA Astrophysics Data System (ADS)
Hwang, Myung-Joong; Choi, Mahn-Soo
2013-03-01
We study the effect of ultrastrong cavity-qubit coupling on the low-lying excitations of a chain of coupled circuit quantum electrodynamic (QED) systems. We show that, in the presence of the onsite ultrastrong coupling, the photon hopping between cavities can be mapped to the Ising interaction between the lowest two levels of individual circuit QED of the chain. Based on our mapping, we predict two nearly degenerate ground states whose wave functions involve maximal entanglement between the macroscopic quantum states of the cavities and the states of qubits and identify that they are mathematically equivalent to Majorana bound states. Further, we devise a scheme for the dispersive measurement of the ground states using an additional resonator attached to one end of the circuit QED chain. Finally, we discuss the effects of disorders and local noises on the coherence of the ground states.
The present state of the chemiosmotic coupling theory.
Westerhoff, H V; Helgerson, S L; Theg, S M; van Kooten, O; Wikström, M; Skulachev, V P; Dancsházy, Z
1983-01-01
Although the general principles of the chemiosmotic coupling theory have become widely accepted, the (degree of) loc(aliz)ation of electrochemical proton potential difference cannot yet be deduced from the existing experimental data. Many results are not in ready accordance with the idea that one protonic electrochemical potential difference, i.e. the one between a homogeneous inner and a homogeneous outer aqueous phase, would be the high-free-energy intermediate of membrane-linked free-energy transduction. Rather, free-energy transduction in an organelle like a mitochondrion or a chloroplast might take place in large number (about 1 per H+-ATPase) of miniature chemiosmotic systems. The energized protons produced in such a miniature system might be largely (but not totally) confined to a proton-domain belonging to it. Hence, there might be many (rather than one) different relevant proton gradients.
Coupling the Sorkin-Johnston state to gravity
NASA Astrophysics Data System (ADS)
Avilán, Nicolás; Reyes-Lega, Andrés F.; Carneiro da Cunha, Bruno
2014-10-01
We consider the dynamics of the Sorkin-Johnston state for a massless scalar field in two dimensions. We conduct a study of the renormalized stress-tensor by a subtraction procedure, and compare the results with those of the conformal vacuum, with an important contribution from correction term. We find a large trace anomaly and compute backreaction effects to two dimensional (Liouville) gravity. We also find a natural interpretation for the mirror behavior of the Sorkin-Johnston state described in previous works.
Excited-State Energies and Electronic Couplings of DNA Base Dimers
Kozak, Christopher R.; Kistler, Kurt A.; Lu, Zhen; Matsika, Spiridoula
2010-02-04
The singlet excited electronic states of two π-stacked thymine molecules and their splittings due to electronic coupling have been investigated with a variety of computational methods. Focus has been given on the effect of intermolecular distance on these energies and couplings. Single-reference methods, CIS, CIS(2), EOMCCSD, TDDFT, and the multireference method CASSCF, have been used, and their performance has been compared. It is found that the excited-state energies are very sensitive to the applied method but the couplings are not as sensitive. Inclusion of diffuse functions in the basis set also affects the excitation energies significantly but not the couplings. TDDFT is inadequate in describing the states and their coupling, while CIS(2) gives results very similar to EOM-CCSD. Excited states of cytosine and adenine π-stacked dimers were also obtained and compared with those of thymine dimers to gain a more general picture of excited states in π-stacked DNA base dimers. The coupling is very sensitive to the relative position and orientation of the bases, indicating great variation in the degree of delocalization of the excited states between stacked bases in natural DNA as it fluctuates.
Multimode mediated qubit-qubit coupling and dark-state symmetries in circuit quantum electrodynamics
Filipp, S.; Goeppl, M.; Fink, J. M.; Baur, M.; Bianchetti, R.; Steffen, L.; Wallraff, A.
2011-06-15
Microwave cavities with high quality factors enable coherent coupling of distant quantum systems. Virtual photons lead to a transverse interaction between qubits when they are nonresonant with the cavity but resonant with each other. We experimentally investigate the inverse scaling of the interqubit coupling with the detuning from a cavity mode and its proportionality to the qubit-cavity interaction strength. We demonstrate that the enhanced coupling at higher frequencies is mediated by multiple higher-harmonic cavity modes. Moreover, we observe dark states of the coupled qubit-qubit system and analyze their relation to the symmetry of the applied driving field at different frequencies.
Topological quantum phase transitions and edge states in spin-orbital coupled Fermi gases.
Zhou, Tao; Gao, Yi; Wang, Z D
2014-06-11
We study superconducting states in the presence of spin-orbital coupling and Zeeman field. It is found that a phase transition from a Fulde-Ferrell-Larkin-Ovchinnikov state to the topological superconducting state occurs upon increasing the spin-orbital coupling. The nature of this topological phase transition and its critical property are investigated numerically. Physical properties of the topological superconducting phase are also explored. Moreover, the local density of states is calculated, through which the topological feature may be tested experimentally.
NASA Astrophysics Data System (ADS)
Premalatha, K.; Chandrasekar, V. K.; Senthilvelan, M.; Lakshmanan, M.
2017-02-01
We show the existence of chimeralike states in two distinct groups of identical populations of globally coupled Stuart-Landau oscillators. The existence of chimeralike states occurs only for a small range of frequency difference between the two populations, and these states disappear for an increase of mismatch between the frequencies. Here the chimeralike states are characterized by the synchronized oscillations in one population and desynchronized oscillations in another population. We also find that such states observed in two distinct groups of identical populations of nonlocally coupled oscillators are different from the above case in which coexisting domains of synchronized and desynchronized oscillations are observed in one population and the second population exhibits synchronized oscillations for spatially prepared initial conditions. Perturbation from such spatially prepared initial condition leads to the existence of imperfectly synchronized states. An imperfectly synchronized state represents the existence of solitary oscillators which escape from the synchronized group in population I and synchronized oscillations in population II. Also the existence of chimera state is independent of the increase of frequency mismatch between the populations. We also find the coexistence of different dynamical states with respect to different initial conditions, which causes multistability in the globally coupled system. In the case of nonlocal coupling, the system does not show multistability except in the cluster state region.
High fidelity quantum state transfer in electromechanical systems with intermediate coupling.
Zhou, Jian; Hu, Yong; Yin, Zhang-qi; Wang, Z D; Zhu, Shi-Liang; Xue, Zheng-Yuan
2014-08-29
Hybrid quantum systems usually consist of two or more subsystems, which may take the advantages of the different systems. Recently, the hybrid system consisting of circuit electromechanical subsystems have attracted great attention due to its advanced fabrication and scalable integrated photonic circuit techniques. Here, we propose a scheme for high fidelity quantum state transfer between a superconducting qubit and a nitrogen-vacancy center in diamond, which are coupled to a superconducting transmission-line resonator with coupling strength g1 and a nanomechanical resonator with coupling strength g2, respectively. Meanwhile, the two resonators are parametrically coupled with coupling strength J. The system dynamics, including the decoherence effects, is numerical investigated. It is found that both the small (J<{g1,g2}) and large (J>{g1,g2}) coupling regimes of this hybrid system can not support high fidelity quantum state transfer before significant technique advances. However, in the intermediate coupling regime (J ~ g1 ~ g2), in contrast to a conventional wisdom, high fidelity quantum information transfer can be implemented, providing a promising route towards high fidelity quantum state transfer in similar coupled resonators systems.
Graphene oxide modification of plexciton states in the strong coupling limit
NASA Astrophysics Data System (ADS)
Fedele, Stefano; Murphy, Antony; Pollard, Robert; Rice, James
2017-03-01
We demonstrate that gold nanorod arrays support LSPR modes which coincide with Frankel excitons in an organic J-aggregate complex forming plexciton hybrid states when tuned to within the strong coupling limit. The addition of graphene oxide modifies the strong coupling resonance conditions and Rabi frequency. This demonstrates that the formation of exciton–plasmon plexciton states in the strong coupling limit can be modified and potentially controlled through the introduction of graphene oxide which can have implications for energy harvesting or biosensor device design.
Output coupling from a trapped Bose-Einstein condensate in a vortex state
Blakie, P. Blair; Ballagh, Robert J.; Clark, Charles W.
2003-08-01
We consider the properties of an atom laser produced by the output coupling of a trapped vortex state with a Raman scattering process. We find a linearized analytic solution from which a generalized resonance condition for Raman output coupling is developed. Using numerical simulations of a two-component Gross-Pitaevskii equation in two and three dimensions, the output beam from a trapped central vortex state is analyzed for cases of pulsed and continuous coupling where the vortex core is either transverse or parallel to the direction of propagation. We show how the parameters of the Raman light fields control the spatial phase of the output beam.
Study on phase-locked coherence of evanescent wave coupling in solid-state laser
NASA Astrophysics Data System (ADS)
Chen, Yong; Liu, Xu; Zhu, Mengzhen; Lu, Changyong; Lu, Yimin; Tan, Caoyong; Wei, Shangfang
2016-01-01
The mechanism and characteristics of evanescent-wave coupling in solid-state laser is analyzed theoretically and experimentally. The results shown that self-organized phase locking between laser modes can be realized by evanescentwave coupling in solid-state laser. Based on "mutual injection and evanescent wave" characteristics of corner-cube prism, the paper reveals that far-field output of corner-cube laser is the inner reason and mechanism of coherent combining distribution by theory of evanescent wave and its coherence is better than plane parallel resonator. And "mutually coupled phase locking of six lasers based cube-corner resonator" scheme is proposed on this basis.
Brunner, R; Akis, R; Ferry, D K; Kuchar, F; Meisels, R
2008-07-11
We discuss a quantum system coupled to the environment, composed of an open array of billiards (dots) in series. Beside pointer states occurring in individual dots, we observe sets of robust states which arise only in the array. We define these new states as bipartite pointer states, since they cannot be described in terms of simple linear combinations of robust single-dot states. The classical existence of bipartite pointer states is confirmed by comparing the quantum-mechanical and classical results. The ability of the robust states to create "offspring" indicates that quantum Darwinism is in action.
NASA Astrophysics Data System (ADS)
Brunner, R.; Akis, R.; Ferry, D. K.; Kuchar, F.; Meisels, R.
2008-07-01
We discuss a quantum system coupled to the environment, composed of an open array of billiards (dots) in series. Beside pointer states occurring in individual dots, we observe sets of robust states which arise only in the array. We define these new states as bipartite pointer states, since they cannot be described in terms of simple linear combinations of robust single-dot states. The classical existence of bipartite pointer states is confirmed by comparing the quantum-mechanical and classical results. The ability of the robust states to create “offspring” indicates that quantum Darwinism is in action.
Effects of J couplings and unobservable minor states on kinetics parameters extracted from CEST data
NASA Astrophysics Data System (ADS)
Zhou, Yang; Yang, Daiwen
2014-12-01
Chemical exchange saturation transfer (CEST) experiments have emerged as a powerful tool for characterizing dynamics and sparse populated conformers of protein in slow exchanging systems. We show that J couplings and 'invisible' minor states can cause systematic errors in kinetics parameters and chemical shifts extracted from CEST data. For weakly coupled spin systems, the J coupling effect can be removed using an approximation method. This method is warranted through detailed theoretical derivation, supported by results from simulations and experiments on an acyl carrier protein domain. Simulations demonstrate that the effect of 'invisible' minor states on the extracted kinetics parameters depends on the chemical shifts, populations, exchange rates of the 'invisible' states to the observed major or minor state and exchange models. Moreover, the extracted chemical shifts of the observed minor state can also be influenced by the "invisible" minor states. The presence of an off-pathway folding intermediate in the acyl carrier protein domain explains why the exchange rates obtained with a two-state model from individual residues that displayed only two obvious CEST dips varied significantly and the extracted exchange rates for 15N and 13CO spins located in the same peptide bond could be very different. The approximation method described here simplifies CEST data analysis in many situations where the coupling effect cannot be ignored and decoupling techniques are not desirable. In addition, this study also raises alerts for 'invisible' minor states which can cause errors in not only kinetics parameters but also chemical shifts of the observed minor state.
Stress-strain state of mechanical rebar couplings
Klimenov, Vasilij; Ovchinnikov, Artem; Ustinov, Artem Danilson, Artem
2016-01-15
Mechanical rebar couplers are preferable in the advanced building construction and structural design of anti-seismic elements. The paper presents destructive inspection techniques used to investigate stress fields (tensile and compressive) and deformation curves for mechanical rebar splicing. The properties of mechanical rebar splicing are investigated by the non-destructive testing digital radiography. The behavior of real connections (column-to-column, beam-to-column) is studied under static and dynamic loads. Investigation results allow the elaboration of recommendations on their application in the universal prefabricated anti-seismic structural system developed at Tomsk State University of Architecture and Building, Tomsk, Russia.
NASA Astrophysics Data System (ADS)
Quesada, José Manuel; Soukhovitskiĩ, EfremS.; Capote, Roberto; Chiba, Satoshi
2013-03-01
A dispersive coupled-channel optical model potential (DCCOMP) that couples the ground-state rotational and low-lying vibrational bands of 238U and 232Th nuclei is studied. The derived DCCOMP couples almost all excited levels below 1 MeV of excitation energy of the corresponding even-even actinides. The ground state, octupole, beta, gamma, and non-axial bands are coupled. The first two isobar analogue states (IAS) populated in the quasi-elastic (p,n) reaction are also coupled in the proton induced calculation, making the potential approximately Lane consistent. The coupled-channel potential is based on a soft-rotor description of the target nucleus structure, where dynamic vibrations are considered as perturbations of the rigid rotor underlying structure. Matrix elements required to use the proposed structure model in Tamura coupled-channel scheme are derived. Calculated ratio R(U238/Th232) of the total cross-section difference to the averaged σT for 238U and 232Th nuclei is shown to be in excellent agreement with measured data.
Frisch, E.; Johnson, C.G.
1962-05-15
A detachable coupling arrangement is described which provides for varying the length of the handle of a tool used in relatively narrow channels. The arrangement consists of mating the key and keyhole formations in the cooperating handle sections. (AEC)
Coulomb excitation of states in 238U
NASA Astrophysics Data System (ADS)
McGowan, F. K.; Milner, W. T.
1994-05-01
Twenty-two states in 238U have been observed with 18 MeV 4He ions on a thick target. Eight 2 + states between 966 and 1782 keV and three 3 - states are populated by direct E2 and E3, respectively. The remaining states are either weakly excited by multiple Coulomb excitation and /or populated by the γ-ray decay of the directly excited states. Spin assignments are based on γ-ray angular distributions. Reduced transition probabilities have been deduced from the γ-ray yields. The B(E2) values for excitation of the 2 + states range from 0.10 to 3.0 W.u. (281 W.u. for the first 2 + state). For the 3 states, the B(E3, 0 → 3 -) values are 7.1, 7.8, and 24.2 W.u. Several of the 2 + states have decay branches to the one-phonon states with B(E2) values between 27 and 56 W.u. which are an order of magnitude larger than the B(E2) values between the one- and zero-phonon states. This disagrees with our present understanding of collectivity in nuclei if these 2 + states are considered to be collective two-phonon excitations. However, the excitation energies of these 2 + states with respect to the one-phonon states are only 1.3 to 1.6. The B(E1) values for 17 transitions between the positive- and negative-parity states range between 10 -3 and 10 -7 W.u. The B(E1) branching ratios for many of these transitions have large deviations from the Alaga-rule predictions. These deviations can be understood by the strong Coriolis coupling between the states of the one-phonon octupole quadruplet in deformed nuclei. The general features of the experimental results for the B(E3) values are reproduced by the microscopic calculations of Neergård and Vogel when the Coriolis coupling between the states of the octupole quadruplet is included.
NASA Astrophysics Data System (ADS)
Kunova, O.; Kustova, E.; Mekhonoshina, M.; Shoev, G.
2016-11-01
The influence of vibrational-dissociation kinetics on mass and heat transfer in non-equilibrium flows of N2/N and O2/O mixtures behind shock waves is investigated on the basis of the state-to-state approach. A method of the numerical solution of coupled equations of gas dynamics and state-to-state kinetics in the commercial flow solver ANSYS Fluent is proposed. Based on the proposed numerical tool, the flows near a cone and behind a planar shock wave are studied. The calculation results are compared with available experimental data.
Experimental observation of chimera and cluster states in a minimal globally coupled network
NASA Astrophysics Data System (ADS)
Hart, Joseph D.; Bansal, Kanika; Murphy, Thomas E.; Roy, Rajarshi
2016-09-01
A "chimera state" is a dynamical pattern that occurs in a network of coupled identical oscillators when the symmetry of the oscillator population is broken into synchronous and asynchronous parts. We report the experimental observation of chimera and cluster states in a network of four globally coupled chaotic opto-electronic oscillators. This is the minimal network that can support chimera states, and our study provides new insight into the fundamental mechanisms underlying their formation. We use a unified approach to determine the stability of all the observed partially synchronous patterns, highlighting the close relationship between chimera and cluster states as belonging to the broader phenomenon of partial synchronization. Our approach is general in terms of network size and connectivity. We also find that chimera states often appear in regions of multistability between global, cluster, and desynchronized states.
Antifreeze acceptability for ground-coupled heat pump ground loops in the United States
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.
Coupling of quantum well states in Cu/Co/Cu system
NASA Astrophysics Data System (ADS)
Qiu, Z. Q.; Wu, Y. Z.; Won, C. Y.; Zhao, H. W.; Rotenberg, E.; Smith, N. V.
2004-03-01
Quantum well(QW) states in ultrathin metallic films are shown to play an important role in oscillatory interlayer magnetic coupling. To better understand the properties of QW states, Kawakami et al [1] used 1ML Ni to probe the QW wave function, and the result shows that the QW states in a symmetrical double QWs couple together across the Ni barrier. One interesting question is how QW states in asymmetrical double QWs interact. In this talk, we report photoemission study of Cu(d1)/Co(1ML)/Cu(d2) double QWs grown on Co(001). The experiment was performed at the Advanced Light Source. The results show strong resonance between the two Cu QW states across the 1ML Co barrier. In particular, energy spectra taken at the ratio of d1:d2=1:1, 1:2, and 1:3 show interesting coupling characters that the QW states in one layer couple selectively with the QW states of the other layer. [1] R.K. Kawakami et al Nature(London) 398,132(1999)
NASA Astrophysics Data System (ADS)
Nkomo, Simbarashe; Tinsley, Mark R.; Showalter, Kenneth
2016-09-01
Chimera and chimera-like states are characterized in populations of photochemically coupled Belousov-Zhabotinsky (BZ) oscillators. Simple chimeras and chimera states with multiple and traveling phase clusters, phase-slip behavior, and chimera-like states with phase waves are described. Simulations with a realistic model of the discrete BZ system of populations of homogeneous and heterogeneous oscillators are compared with each other and with experimental behavior.
Emergence of stable two-colour states in mutually delay-coupled lasers
NASA Astrophysics Data System (ADS)
Seifikar, Masoud; Amann, Andreas; Peters, Frank H.
2017-03-01
We theoretically investigate a setup of two mutually delay-coupled semiconductor lasers in a face to face configuration, and study the multi-stabilities and symmetry-broken one-colour and two-colour states for this system, for the development of mutually coupled lasers for integration in a Photonic Integrated Circuit (PIC).We show that the stable two-colour exist for the finite distance between lasers.
Suppression of Quadrupole and Octupole Modes in Red Giants Observed by Kepler *
NASA Astrophysics Data System (ADS)
Stello, Dennis; Cantiello, Matteo; Fuller, Jim; Garcia, Rafael A.; Huber, Daniel
2016-03-01
An exciting new theoretical result shows that observing suppression of dipole oscillation modes in red giant stars can be used to detect strong magnetic fields in the stellar cores. A fundamental facet of the theory is that nearly all the mode energy leaking into the core is trapped by the magnetic greenhouse effect. This results in clear predictions for how the mode visibility changes as a star evolves up the red giant branch, and how that depends on stellar mass, spherical degree, and mode lifetime. Here, we investigate the validity of these predictions with a focus on the visibility of different spherical degrees. We find that mode suppression weakens for higher degree modes with a reduction in the quadrupole mode visibility of up to 49%, and no detectable suppression of octupole modes, in agreement with theory. We find evidence for the influence of increasing mode lifetimes on the visibilities along the red giant branch, in agreement with previous independent observations. These results support the theory that strong internal magnetic fields cause suppression of non-radial modes in red giants. We also find preliminary evidence that stars with suppressed dipole modes on average have slightly lower metallicity than normal stars.
Vura-Weis, Josh; Newton, M. D.; Wasielewski, Michael R; Subotnik, J.E.
2010-12-09
A common strategy to calculate electronic coupling matrix elements for charge or energy transfer is to take the adiabatic states generated by electronic structure computations and rotate them to form localized diabatic states. In this paper, we show that, for intermolecular transfer of singlet electronic excitation, usually we cannot fully localize the electronic excitations in this way. Instead, we calculate putative initial and final states with small excitation tails caused by weak interactions with high energy excited states in the electronic manifold. These tails do not lead to substantial changes in the total diabatic coupling between states, but they do lead to a different partitioning of the total coupling between Coulomb (Förster), exchange (Dexter), and one-electron components. The tails may be reduced by using a multistate diabatic model or eliminated entirely by truncation (denoted as “chopping”). Without more information, we are unable to conclude with certainty whether the observed diabatic tails are a physical reality or a computational artifact. This research suggests that decomposition of the diabatic coupling between chromophores into Coulomb, exchange, and one-electron components may depend strongly on the number of states considered, and such results should be treated with caution.
Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling
Wang, Zhifan; Hu, Shu; Guo, Jingwei; Wang, Fan
2015-04-14
In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis set without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.
Spin Number Coherent States and the Problem of Two Coupled Oscillators
NASA Astrophysics Data System (ADS)
Ojeda-Guillén, D.; Mota, R. D.; Granados, V. D.
2015-07-01
From the definition of the standard Perelomov coherent states we introduce the Perelomov number coherent states for any su(2) Lie algebra. With the displacement operator we apply a similarity transformation to the su(2) generators and construct a new set of operators which also close the su(2) Lie algebra, being the Perelomov number coherent states the new basis for its unitary irreducible representation. We apply our results to obtain the energy spectrum, the eigenstates and the partition function of two coupled oscillators. We show that the eigenstates of two coupled oscillators are the SU(2) Perelomov number coherent states of the two-dimensional harmonic oscillator with an appropriate choice of the coherent state parameters. Supported by SNI-México, COFAA-IPN, EDD-IPN, EDI-IPN, SIP-IPN Project No. 20150935
Vibronic structure and coupling of higher excited electronic states in carotenoids
NASA Astrophysics Data System (ADS)
Krawczyk, Stanisław; Luchowski, Rafał
2013-03-01
Absorption spectra of all-trans carotenoids (lycopene, violaxanthin, ζ-carotene) at low temperature exhibit peculiar features in the UV range. The transition to the 11Ag+ state ('cis-band') weakens on cooling, indicating that it is induced by thermal deformations of the conjugated chain. The higher energy band has unique vibrational structure indicating the vibronic coupling of nBu with another electronic state. The electroabsorption spectra point to the electric field-induced mixing of the nBu state with the vibrational continuum of a lower-lying excited state (Fano effect). These observations widen the basis for elucidation of the vibronic coupling effects in the lower excited states.
Roles of Hund's rule coupling in excitonic density-wave states
NASA Astrophysics Data System (ADS)
Kaneko, Tatsuya; Ohta, Yukinori
2014-12-01
Excitonic density-wave states realized by the quantum condensation of electron-hole pairs (or excitons) are studied in the two-band Hubbard model with Hund's rule coupling and the pair hopping term. Using the variational cluster approximation, we calculate the grand potential of the system and demonstrate that Hund's rule coupling always stabilizes the excitonic spin-density-wave state and destabilizes the excitonic charge-density-wave state and that the pair hopping term enhances these effects. The characteristics of these excitonic density-wave states are discussed using the calculated single-particle spectral function, density of states, condensation amplitude, and pair coherence length. Implications of our results in the materials' aspects are also discussed.
Small chimera states without multistability in a globally delay-coupled network of four lasers
NASA Astrophysics Data System (ADS)
Röhm, André; Böhm, Fabian; Lüdge, Kathy
2016-10-01
We present results obtained for a network of four delay-coupled lasers modeled by Lang-Kobayashi-type equations. We find small chimera states consisting of a pair of synchronized lasers and two unsynchronized lasers. One class of these small chimera states can be understood as intermediate steps on the route from synchronization to desynchronization, and we present the entire chain of bifurcations giving birth to them. This class of small chimeras can exhibit limit-cycle or quasiperiodic dynamics. A second type of small chimera states exists apparently disconnected from any region of synchronization, arising from pair synchronization inside the chaotic desynchronized regime. In contrast to previously reported chimera states in globally coupled networks, we find that the small chimera state is the only stable solution of the system for certain parameter regions; i.e., we do not need to specially prepare initial conditions.
Marginal chimera state at cross-frequency locking of pulse-coupled neural networks
NASA Astrophysics Data System (ADS)
Bolotov, M. I.; Osipov, G. V.; Pikovsky, A.
2016-03-01
We consider two coupled populations of leaky integrate-and-fire neurons. Depending on the coupling strength, mean fields generated by these populations can have incommensurate frequencies or become frequency locked. In the observed 2:1 locking state of the mean fields, individual neurons in one population are asynchronous with the mean fields, while in another population they have the same frequency as the mean field. These synchronous neurons form a chimera state, where part of them build a fully synchronized cluster, while other remain scattered. We explain this chimera as a marginal one, caused by a self-organized neutral dynamics of the effective circle map.
Cascade of quantum phase transitions in tunnel-coupled edge states.
Yang, I; Kang, W; Baldwin, K W; Pfeiffer, L N; West, K W
2004-02-06
We report on the cascade of quantum phase transitions exhibited by tunnel-coupled edge states across a quantum Hall line junction. We identify a series of quantum critical points between successive strong and weak tunneling regimes in the zero-bias conductance. Scaling analysis shows that the conductance near the critical magnetic fields B(c) is a function of a single scaling argument /B-B(c)/T(-kappa), where the exponent kappa=0.42. This puzzling resemblance to a quantum Hall-insulator transition points to the importance of interedge correlation between the coupled edge states.
Fluctuation of the electronic coupling in DNA: Multistate versus two-state model
NASA Astrophysics Data System (ADS)
Voityuk, Alexander A.
2007-05-01
The electronic coupling for hole transfer between guanine bases G in the DNA duplex (GT) 6GTG(TG) 6 is studied using a QM/MD approach. The coupling V is calculated for 10 thousand snapshots within the two- and multistate state Generalized Mulliken-Hush model. We find that the two-state scheme considerably underestimates the rate of the hole transfer within the π stack. Moreover, the probability distributions computed with the two- and multistate schemes are quite different. It has been found that large fluctuations of V2, which are at least an order of magnitude larger than its average value, occur roughly every 1 ps.
Generation of two-mode squeezed states for two separated atomic ensembles via coupled cavities
Zheng Shibiao; Yang Zhenbiao; Xia Yan
2010-01-15
We propose an efficient scheme for the generation of two-mode squeezed states for two separated atomic ensembles trapped in distant cavities. The scheme is based on selective couplings between the collective atomic modes and two linearly transformed common field modes mediated by an optical fiber or a third cavity. The quanta of the transformed atomic modes are exhausted due to the linear coupling with the transformed field modes, bringing the original atomic modes into the two-mode squeezed states. The experimental implementation of the scheme would be an important step toward quantum communication and networking with continuous variables.
NASA Astrophysics Data System (ADS)
Nori, Franco; Ashhab, Sahel
2011-03-01
We consider a system composed of a two-level system (i.e. a qubit) and a harmonic oscillator in the ultrastrong-coupling regime, where the coupling strength is comparable to the qubit and oscillator energy scales. We explore the possibility of preparing nonclassical states in this system, especially in the ground state of the combined system. The nonclassical states that we consider include squeezed states, Schrodinger-cat states and entangled states. We also analyze the nature of the change in the ground state as the coupling strength is increased, going from a separable ground state in the absence of coupling to a highly entangled ground state in the case of very strong coupling. Reference: S. Ashhab and F. Nori, Phys. Rev. A 81, 042311 (2010). We thank support from DARPA, AFOSR, NSA, LPS, ARO, NSF, MEXT, JSPS, FIRST, and JST.
Mixed coherent states in coupled chaotic systems: Design of secure wireless communication
NASA Astrophysics Data System (ADS)
Vigneshwaran, M.; Dana, S. K.; Padmanaban, E.
2016-12-01
A general coupling design is proposed to realize a mixed coherent (MC) state: coexistence of complete synchronization, antisynchronization, and amplitude death in different pairs of similar state variables of the coupled chaotic system. The stability of coupled system is ensured by the Lyapunov function and a scaling of each variable is also separately taken care of. When heterogeneity as a parameter mismatch is introduced in the coupled system, the coupling function facilitates to retain its coherence and displays the global stability with renewed scaling factor. Robust synchronization features facilitated by a MC state enable to design a dual modulation scheme: binary phase shift key (BPSK) and parameter mismatch shift key (PMSK), for secure data transmission. Two classes of decoders (coherent and noncoherent) are discussed, the noncoherent decoder shows better performance over the coherent decoder, mostly a noncoherent demodulator is preferred in biological implant applications. Both the modulation schemes are demonstrated numerically by using the Lorenz oscillator and the BPSK scheme is demonstrated experimentally using radio signals.
Occurrence and stability of chimera states in coupled externally excited oscillators
NASA Astrophysics Data System (ADS)
Dudkowski, Dawid; Maistrenko, Yuri; Kapitaniak, Tomasz
2016-11-01
We studied the phenomenon of chimera states in networks of non-locally coupled externally excited oscillators. Units of the considered networks are bi-stable, having two co-existing attractors of different types (chaotic and periodic). The occurrence of chimeras is discussed, and the influence of coupling radius and coupling strength on their co-existence is analyzed (including typical bifurcation scenarios). We present a statistical analysis and investigate sensitivity of the probability of observing chimeras to the initial conditions and parameter values. Due to the fact that each unit of the considered networks is individually excited, we study the influence of the excitation failure on stability of observed states. Typical transitions are shown, and changes in network's dynamics are discussed. We analyze systems of coupled van der Pol-Duffing oscillators and the Duffing ones. Described chimera states are robust as they are observed in the wide regions of parameter values, as well as in other networks of coupled forced oscillators.
Stationary states of fermions in a sign potential with a mixed vector–scalar coupling
Castilho, W.M. Castro, A.S. de
2014-01-15
The scattering of a fermion in the background of a sign potential is considered with a general mixing of vector and scalar Lorentz structures with the scalar coupling stronger than or equal to the vector coupling under the Sturm–Liouville perspective. When the vector coupling and the scalar coupling have different magnitudes, an isolated solution shows that the fermion under a strong potential can be trapped in a highly localized region without manifestation of Klein’s paradox. It is also shown that the lonely bound-state solution disappears asymptotically as one approaches the conditions for the realization of spin and pseudospin symmetries. -- Highlights: •Scattering of fermions in a sign potential assessed under a Sturm–Liouville perspective. •An isolated bounded solution. •No pair production despite the high localization. •No bounded solution under exact spin and pseudospin symmetries.
Withington, Stafford; Yassin, Ghassan
2002-07-01
A procedure is described for calculating the power coupled between partially coherent waveguide fields that are in different states of coherence. The method becomes important when it is necessary to calculate the power transferred from a distributed source S to a distributed load L through a length of multimode metallic, or dielectric, waveguide. It is shown that if the correlations between the transverse components of the electric and magnetic fields of S and L are described by coherence matrices M and M', respectively, then the normalized average power coupled between them is (eta) = Tr[MM']/Tr[M]Tr[M'], where Tr denotes the trace. When the modal impedances are equal, this expression for the coupled power reduces to an equation derived in a previous paper [J. Opt. Soc. Am. A 18, 3061 (2001)], by use of thermodynamic arguments, for the power coupled between partially coherent free-space beams.
NASA Astrophysics Data System (ADS)
Maquart, G.; Augey, L.; Chaix, L.; Companis, I.; Ducoin, C.; Dudouet, J.; Guinet, D.; Lehaut, G.; Mancuso, C.; Redon, N.; Stézowski, O.; Vancraeyenest, A.; Astier, A.; Azaiez, F.; Courtin, S.; Curien, D.; Deloncle, I.; Dorvaux, O.; Duchêne, G.; Gall, B.; Grahn, T.; Greenlees, P.; Herzan, A.; Hauschild, K.; Jakobsson, U.; Jones, P.; Julin, R.; Juutinen, S.; Ketelhut, S.; Leino, M.; Lopez-Martens, A.; Nieminen, P.; Petkov, P.; Peura, P.; Porquet, M.-G.; Rahkila, P.; Rinta-Antila, S.; Rousseau, M.; Ruotsalainen, P.; Sandzelius, M.; Sarén, J.; Scholey, C.; Sorri, J.; Stolze, S.; Uusitalo, J.
2017-03-01
Relatively neutron-rich thorium isotopes lie at the heart of a nuclear region of nuclei exhibiting octupole correlation effects. The detailed level structure of 223Th has been investigated in measurements of γ radiation following the fusion-evaporation channel of the 208Pb(18O,3 n )223Th reaction at 85 MeV beam energy. The level structure has been extended up to spin 49 /2 , and 33 new γ rays have been added using triple-γ coincidence data. The spins and parities of the newly observed states have been confirmed by angular distribution ratios. In addition to the two known yrast bands based on a K =5 /2 configuration, a non-yrast band has been established up to spin 35 /2 . We interpret this new structure as based on the same configuration as the yrast band in 221Th having dominant K =1 /2 contribution. At the highest spin a backbending occurs around a rotational frequency of ℏ ω =0.23 MeV, very close to the one predicted in 222Th, where a sharp transition to a reflection-symmetric shape is expected.
Tamm State-Coupled Emission: Effect of Probe Location and Emission Wavelength
2015-01-01
We report the effect of the probe location and wavelength on the emission spatial distribution and spectral properties of fluorophores located on structures which display Tamm states. Our structure consists of a one-dimensional photonic crystal (1DPC)—that is, a multilayer structure of alternate high and low refractive index dielectrics—and a thin top silver film. Simulations show the presence of Tamm and surface plasmon modes in the structure. The electric field intensities for the Tamm modes are located mostly in the dielectric layer below the metal film. The corresponding field intensities for the surface plamon modes are located above the metal film in the distal side. Tamm states can be in resonance with the incident light normal or near normal to the surface, within the light line, and can be accessed without the use of a coupling prism or gratings. We investigated the emission spectra and angular distribution of the emission for probes located above and below the metal film to explore the interaction of fluorophores with Tamm plasmons and surface plasmons modes. Three probes were chosen with different overlap of the emission spectra with the Tamm modes. The fluorophores below the metal film coupled predominantly with the Tamm state and displayed more intense and only Tamm state-coupled emission (TSCE). Probes above the metal film display both surface plasmon-coupled emission (SPCE) and Tamm state-coupled emission. In contrast to SPCE, which shows only KR, P-polarized emission, the Tamm states can display both S- and P-polarized emission and can be populated using both RK and KR illuminations. The TSCE angle is highly sensitive to wavelength, which suggests the use of Tamm structures to provide both directional emission and wavelength dispersion. The combination of plasmonic and photonic structures with directional emission close to surface normal offers the opportunities for new design formats for clinical testing, portable devices, and other
Bistable coupling states measured on single Co nanoclusters deposited on CoO(111).
Le Roy, D; Morel, R; Pouget, S; Brenac, A; Notin, L; Crozes, T; Wernsdorfer, W
2011-07-29
We describe novel features of the induced magnetic anisotropy in Co nanoclusters coupled with a CoO(111) layer. Individual cluster magnetism was studied using new microbridge superconducting quantum interference devices. Intrinsically, the Co clusters are single domains with an effective anisotropy constant K(F)≈1.5×10(6) erg·cm(-3). A bistable state of the ferromagnetic-antiferromagnetic coupling is revealed, with a maximum bias systematically observed along CoO[10 ̅1] and an interfacial coupling energy of 0.9 erg·cm(-2). The small bias observed in cluster assembly results from an averaging over the two opposite stable states.
Renewal Approach to the Analysis of the Asynchronous State for Coupled Noisy Oscillators
NASA Astrophysics Data System (ADS)
Farkhooi, Farzad; van Vreeswijk, Carl
2015-07-01
We develop a framework in which the activity of nonlinear pulse-coupled oscillators is posed within the renewal theory. In this approach, the evolution of the interevent density allows for a self-consistent calculation that determines the asynchronous state and its stability. This framework can readily be extended to the analysis of systems with more state variables and provides a population density treatment to evolve them in their thermodynamical limits. To demonstrate this we study a nonlinear pulse-coupled system, where couplings are dynamic and activity dependent. We investigate its stability and numerically study the nonequilibrium behavior of the system after the bifurcation. We show that this system undergoes a supercritical Hopf bifurcation to collective synchronization.
Ou, Qi; Fatehi, Shervin; Alguire, Ethan; Subotnik, Joseph E.; Shao, Yihan
2014-07-14
Working within the Tamm-Dancoff approximation, we calculate the derivative couplings between time-dependent density-functional theory excited states by assuming that the Kohn-Sham superposition of singly excited determinants represents a true electronic wavefunction. All Pulay terms are included in our derivative coupling expression. The reasonability of our approach can be established by noting that, for closely separated electronic states in the infinite basis limit, our final expression agrees exactly with the Chernyak-Mukamel expression (with transition densities from response theory). Finally, we also validate our approach empirically by analyzing the behavior of the derivative couplings around the T{sub 1}/T{sub 2} conical intersection of benzaldehyde.
Phase-flip and oscillation-quenching-state transitions through environmental diffusive coupling
NASA Astrophysics Data System (ADS)
Sharma, Amit; Verma, Umesh Kumar; Shrimali, Manish Dev
2016-12-01
We study the dynamics of nonlinear oscillators coupled through environmental diffusive coupling. The interaction between the dynamical systems is maintained through its agents which, in turn, interact globally with each other in the common dynamical environment. We show that this form of coupling scheme can induce an important transition like phase-flip transition as well transitions among oscillation quenching states in identical limit-cycle oscillators. This behavior is analyzed in the parameter plane by analytical and numerical studies of specific cases of the Stuart-Landau oscillator and van der Pol oscillator. Experimental evidences of the phase-flip transition and quenching states are shown using an electronic version of the van der Pol oscillators.
Roach, Thomas; Na, Chae Sun
2017-01-01
Photosynthetic organisms have to tolerate rapid changes in light intensity, which is facilitated by non-photochemical quenching (NPQ) and involves modification of energy transfer from light-harvesting complexes (LHC) to the photosystem reaction centres. NPQ includes dissipating excess light energy to heat (qE) and the reversible coupling of LHCII to photosystems (state transitions/qT), which are considered separate NPQ mechanisms. In the model alga Chlamydomonas reinhardtii the LHCSR3 protein has a well characterised role in qE. Here, it is shown in the npq4 mutant, deficient in LHCSR3, that energy coupling to photosystem II (PSII) more akin to qT is also disrupted, but no major differences in LHC phosphorylation or LHC compositions were found in comparison to wild-type cells. The qT of wild-type cells possessed two kinetically distinguishable phases, with LHCSR3 participating in the more rapid (<2 min) phase. This LHCSR3-mediated qT was sensitive to physiological levels of H2O2, which accelerated qE induction, revealing a way that may help C. reinhardtii tolerate a sudden increase in light intensity. Overall, a clear mechanistic overlap between qE and qT is shown. PMID:28233792
Burns, Justin L; Deer, D Douglas; Weinert, Emily E
2014-11-01
Bacterial biofilm formation is regulated by enzymes, such as diguanylate cyclases, that respond to environmental signals and alter c-di-GMP levels. Diguanylate cyclase activity of two globin coupled sensors is shown to be regulated by gaseous ligands, with cyclase activity and O2 dissociation affected by protein oligomeric state.
Quantum state engineering of spin-orbit-coupled ultracold atoms in a Morse potential
NASA Astrophysics Data System (ADS)
Ban, Yue; Chen, Xi; Muga, J. G.; Sherman, E. Ya
2015-02-01
Achieving full control of a Bose-Einstein condensate can have valuable applications in metrology, quantum information processing, and quantum condensed matter physics. We propose protocols to simultaneously control the internal (related to its pseudospin-1/2) and motional (position-related) states of a spin-orbit-coupled Bose-Einstein condensate confined in a Morse potential. In the presence of synthetic spin-orbit coupling, the state transition of a noninteracting condensate can be implemented by Raman coupling and detuning terms designed by invariant-based inverse engineering. The state transfer may also be driven by tuning the direction of the spin-orbit-coupling field and modulating the magnitude of the effective synthetic magnetic field. The results can be generalized for interacting condensates by changing the time-dependent detuning to compensate for the interaction. We find that a two-level algorithm for the inverse engineering remains numerically accurate even if the entire set of possible states is considered. The proposed approach is robust against the laser-field noise and systematic device-dependent errors.
An ultrasonic nebulizer (USN) was utilized as a sample introduction device for an inductively coupled plasma mass spectrometer in an attempt to increase the sensitivity for As. The USN produced a valence state response difference for As. The As response was suppressed approximate...
Ahuja, Tarushee; Wang, Dengchao; Tang, Zhenghua; Robinson, Donald A; Padelford, Jonathan W; Wang, Gangli
2015-07-15
Electron transfer activities of metal clusters are fundamentally significant and have promising potential in catalysis, charge or energy storage, sensing, biomedicine and other applications. Strong resonance coupling between the metal core energy states and the ligand molecular orbitals has not been established experimentally, albeit exciting progress has been achieved in the composition and structure determination of these types of nanomaterials recently. In this report, the coupling between core and ligand energy states is demonstrated by the rich electron transfer activities of Au130 clusters. Quantized electron transfers to the core and multi-electron transfers involving the durene-dithiolate ligands were observed at lower and higher potentials, respectively, in voltammetric studies. After a facile multi-electron oxidation from +1.34 to +1.40 V, several reversal reduction processes at more negative potentials, i.e. +0.91 V, +0.18 V and -0.34 V, were observed in an electrochemically irreversible fashion or with sluggish kinetics. The number of electrons and the shifts of the respective reduction potentials in the reversal process were attributed to the electronic coupling or energy relaxation processes. The electron transfer activities and subsequent relaxation processes are drastically reduced at lower temperatures. The time- and temperature-dependent relaxation, involving multiple energy states in the reversal reduction processes upon the oxidation of ligands, reveals the coupling between core and ligand energy states.
A Path Model of Risk Factors for Intimate Partner Violence among Couples in the United States
ERIC Educational Resources Information Center
Schafer, John; Caetano, Raul; Cunradi, Carol B.
2004-01-01
The present study was designed to identify the impact of drinking problems, impulsivity, and a history of childhood physical abuse on both male-to-female (MFIPV) and female-to-male intimate partner violence (FMIPV). The data were collected in 1995 from a representative national sample of couples living in the contiguous 48 states. Using a…
Half-quantum vortex state in a spin-orbit-coupled Bose-Einstein condensate
NASA Astrophysics Data System (ADS)
Ramachandhran, B.; Opanchuk, Bogdan; Liu, Xia-Ji; Pu, Han; Drummond, Peter D.; Hu, Hui
2012-02-01
We theoretically investigate the condensate state and collective excitations of a two-component Bose gas in a two-dimensional harmonic trap subject to isotropic Rashba spin-orbit coupling. In the weakly interacting regime when the interspecies interaction is larger than the intraspecies interaction (g↑↓>g), we find that the condensate ground state has a half-quantum angular momentum vortex configuration with spatial rotational symmetry and skyrmion-type spin texture. Upon increasing the interatomic interaction beyond a threshold gc, the ground state starts to involve higher-order angular momentum components and thus breaks rotational symmetry. In the case of g↑↓
Incoherent chimera and glassy states in coupled oscillators with frustrated interactions
NASA Astrophysics Data System (ADS)
Choe, Chol-Ung; Ri, Ji-Song; Kim, Ryong-Son
2016-09-01
We suggest a site disorder model that describes the population of identical oscillators with quenched random interactions for both the coupling strength and coupling phase. We obtain the reduced equations for the suborder parameters, on the basis of Ott-Antonsen ansatz theory, and present a complete bifurcation analysis of the reduced system. New effects include the appearance of the incoherent chimera and glassy state, both of which are caused by heterogeneity of the coupling phases. In the incoherent chimera state, the system displays an exotic symmetry-breaking behavior in spite of the apparent structural symmetry where the oscillators for both of the two subpopulations are in a frustrated state, while the phase distribution for each subpopulation approaches a steady state that differs from each other. When the incoherent chimera undergoes Hopf bifurcation, the system displays a breathing incoherent chimera. The glassy state that occurs on a surface of three-dimensional parameter space exhibits a continuum of metastable states with zero value of the global order parameter. Explicit formulas are derived for the system's Hopf, saddle-node, and transcritical bifurcation curves, as well as the codimension-2 crossing points, including the Takens-Bogdanov point.
Yang, Hongchun; Howard, Martin; Dean, Caroline
2016-01-01
Establishment and maintenance of gene expression states is central to development and differentiation. Transcriptional and epigenetic mechanisms interconnect in poorly understood ways to determine these states. We explore these mechanisms through dissection of the regulation of Arabidopsis thaliana FLOWERING LOCUS C (FLC). FLC can be present in a transcriptionally active state marked by H3K36me3 or a silent state marked by H3K27me3. Here, we investigate the trans factors modifying these opposing histone states and find a physical coupling in vivo between the H3K36 methyltransferase, SDG8, and the H3K27me3 demethylase, ELF6. Previous modeling has predicted this coupling would exist as it facilitates bistability of opposing histone states. We also find association of SDG8 with the transcription machinery, namely RNA polymerase II and the PAF1 complex. Delivery of the active histone modifications is therefore likely to be through transcription at the locus. SDG8 and ELF6 were found to influence the localization of each other on FLC chromatin, showing the functional importance of the interaction. In addition, both influenced accumulation of the associated H3K27me3 and H3K36me3 histone modifications at FLC. We propose the physical coupling of activation and derepression activities coordinates transcriptional activity and prevents ectopic silencing. PMID:27482092
Surface coating thickness and aggregation state have strong influence on the environmental fate, transport, and toxicity of engineered nanomaterials. In this study, flow-field flow fractionation coupled on-line with single particle inductively coupled plasma-mass spectrometry i...
Crowell, B.; Carpenter, M.; Janssens, R.; Blumenthal, D.; Timar, J.; Wilson, A.; Sharpey-Schafer, J. |; Nakatsukasa, T.; Ahmad, I.; Astier, A.; Azaiez, F.; du Croux, L.; Gall, B.; Hannachi, F.; Khoo, T.; Korichi, A.; Lauritsen, T.; Lopez-Martens, A.
1995-04-01
An experiment using the Eurogam phase II {gamma}-ray spectrometer confirms the existence of an excited superdeformed (SD) band in {sup 190}Hg and its very unusual decay into the lowest SD band over 3--4 transitions. The energies of the transitions linking the two SD bands have been firmly established, and their angular distributions are consistent with a dipole character. Comparisons with calculations using random-phase approximation indicate that the excited SD band can be interpreted as an octupole-vibrational structure.
NASA Astrophysics Data System (ADS)
Li, Shaohong L.; Truhlar, Donald G.
2017-02-01
Analytic potential energy surfaces (PESs) and state couplings of the ground and two lowest singlet excited states of thioanisole (C6H5SCH3) are constructed in a diabatic representation based on electronic structure calculations including dynamic correlation. They cover all 42 internal degrees of freedom and a wide range of geometries including the Franck-Condon region and the reaction valley along the breaking S-CH3 bond with the full ranges of the torsion angles. The parameters in the PESs and couplings are fitted to the results of smooth diabatic electronic structure calculations including dynamic electron correlation by the extended multi-configurational quasi-degenerate perturbation theory method for the adiabatic state energies followed by diabatization by the fourfold way. The fit is accomplished by the anchor points reactive potential method with two reactive coordinates and 40 nonreactive degrees of freedom, where the anchor-point force fields are obtained with a locally modified version of the QuickFF package. The PESs and couplings are suitable for study of the topography of the trilayer potential energy landscape and for electronically nonadiabatic molecular dynamics simulations of the photodissociation of the S-CH3 bond.
Li, Shaohong L; Truhlar, Donald G
2017-02-14
Analytic potential energy surfaces (PESs) and state couplings of the ground and two lowest singlet excited states of thioanisole (C6H5SCH3) are constructed in a diabatic representation based on electronic structure calculations including dynamic correlation. They cover all 42 internal degrees of freedom and a wide range of geometries including the Franck-Condon region and the reaction valley along the breaking S-CH3 bond with the full ranges of the torsion angles. The parameters in the PESs and couplings are fitted to the results of smooth diabatic electronic structure calculations including dynamic electron correlation by the extended multi-configurational quasi-degenerate perturbation theory method for the adiabatic state energies followed by diabatization by the fourfold way. The fit is accomplished by the anchor points reactive potential method with two reactive coordinates and 40 nonreactive degrees of freedom, where the anchor-point force fields are obtained with a locally modified version of the QuickFF package. The PESs and couplings are suitable for study of the topography of the trilayer potential energy landscape and for electronically nonadiabatic molecular dynamics simulations of the photodissociation of the S-CH3 bond.
NASA Astrophysics Data System (ADS)
Mihaila, Bogdan; Heisenberg, Jochen
2000-04-01
We continue the investigations of ground state properties of closed-shell nuclei using the Argonne v18 realistic NN potential, together with the Urbana IX three-nucleon interaction. The ground state wave function is used to calculate the charge form factor and charge density. Starting with the ground state wave function of the closed-shell nucleus, we use the equation of motion technique to calculate the ground state and excited states of a neighboring nucleus. We then generate the corresponding magnetic form factor. We correct for distortions due to the interaction between the electron probe and the nuclear Coulomb field using the DWBA picture. We compare our results with the available experimental data. Even though our presentation will focus mainly on the ^16O and ^15N nuclei, results for other nuclei in the p and s-d shell will also be presented.
Spin-orbit coupling effect on the 23 Π state of 39K85Rb
NASA Astrophysics Data System (ADS)
Kim, Jin-Tae; Stolyarov, Andrey; Stwalley, William
2013-05-01
Recently we investigated the spin-orbit components (Ω = 0+, 0-, 1, and 2) of the 23 Π state of 39K85Rb by using experimental spectroscopy of ultracold molecules formed by photoassociation. The separations (Δ (EΩ = 1 -EΩ = 0) and Δ (EΩ = 2 -EΩ = 1)) between Ω components were unequal due to second-order perturbations by other electronic states. In the present work we investigate the spin-orbit coupling effect on the 2 3 Π state of 39K85Rb in the framework of 1st and 2nd order non-degenerate perturbation theory based on an ab initiomethod. Required potential energy curves and electronic spin-orbit coupling matrix elements are evaluated over a wide range of internuclear distance in the basis of the spin-averaged wavefunctions corresponding to the pure Hund's case (a) coupling scheme. We compare the experimental spin-orbit splittings of the 2 3 Π state with its ab initio counterparts, which agree well and elucidate the pronounced 2nd order perturbation effects caused by nearby electronic states.
Topological phononic states of underwater sound based on coupled ring resonators
He, Cheng; Li, Zheng; Ni, Xu; Sun, Xiao-Chen; Yu, Si-Yuan; Lu, Ming-Hui Liu, Xiao-Ping; Chen, Yan-Feng
2016-01-18
We report a design of topological phononic states for underwater sound using arrays of acoustic coupled ring resonators. In each individual ring resonator, two degenerate acoustic modes, corresponding to clockwise and counter-clockwise propagation, are treated as opposite pseudospins. The gapless edge states arise in the bandgap resulting in protected pseudospin-dependent sound transportation, which is a phononic analogue of the quantum spin Hall effect. We also investigate the robustness of the topological sound state, suggesting that the observed pseudospin-dependent sound transportation remains unless the introduced defects facilitate coupling between the clockwise and counter-clockwise modes (in other words, the original mode degeneracy is broken). The topological engineering of sound transportation will certainly promise unique design for next generation of acoustic devices in sound guiding and switching, especially for underwater acoustic devices.
Liang, J. Felix; Allmond, J. M.; Gross, C. J.; Mueller, Paul E.; Shapira, Dan; Varner, R. L.; Dasgupta, M.; Hinde, David J.; Simenel, C.; Williams, E.; Vo-Phuoc, K.; Brown, M. L.; Carter, I. P.; Evers, M.; Luong, D. H.; Ebadi, T.; Wakhle, A.
2016-08-24
In this study, the presence of neutron transfer channels with positive Q values can enhance sub-barrier fusion cross sections. Recent measurements of the fusion excitation functions for ^{58}Ni+^{132,124}Sn found that the fusion enhancement due to the influence of neutron transfer is smaller than that in ^{40}Ca +^{132,124}Sn although the Q values for multineutron transfer are comparable. The purpose of this study is to investigate the differences observed between the fusion of Sn + Ni and Sn + Ca. Methods: Fusion excitation functions for ^{46,50}Ti +^{124}Sn have been measured at energies near the Coulomb barrier. As a result, a comparison of the barrier distributions for ^{46}Ti+^{124}Sn and ^{40}Ca+^{124}Sn shows that the ^{40}Ca+^{124}Sn system has a barrier strength resulting from the coupling to the very collective octupole state in ^{40}Ca at an energy significantly lower than the uncoupled barrier. In conclusion, the large sub-barrier fusion enhancement in ^{40}Ca induced reactions is attributed to both couplings to neutron transfer and inelastic excitation, with the octupole vibration of ^{40}Ca playing a major role.
Unambiguous discrimination of mixed states: A description based on system-ancilla coupling
Zhou, Xiang-Fa; Zhang, Yong-Sheng; Guo, Guang-Can
2007-05-15
We propose a general description for the unambiguous discrimination of mixed states according to the system-environment coupling, and present a procedure to reduce this to a standard semidefinite programming problem. In the two-state case, we introduce the canonical vectors and partly simplify the problem to the case of discrimination between pairs of canonical vectors. By considering the positivity of the 2x2 matrices, we obtain a series of new upper bounds for the total success probability, which depends on both the prior probabilities and specific state structures.
Nonequilibrium steady state transport of collective-qubit system in strong coupling regime
NASA Astrophysics Data System (ADS)
Wang, Chen; Sun, Ke-Wei
2015-11-01
We investigate the steady state photon transport in a nonequilibrium collective-qubit model. By adopting the noninteracting blip approximation, which is applicable in the strong photon-qubit coupling regime, we describe the essential contribution of indirect qubit-qubit interaction to the population distribution, mediated by the photonic baths. The linear relations of both the optimal flux and noise power with the qubits system size are obtained. Moreover, the inversed power-law style for the finite-size scaling of the optimal photon-qubit coupling strength is exhibited, which is proposed to be universal.
Efficient out-coupling and beaming of Tamm optical states via surface plasmon polariton excitation
Lopez-Garcia, M.; Ho, Y.-L. D.; Taverne, M. P. C.; Chen, L.-F.; Rarity, J. G.; Oulton, R.; Murshidy, M. M.; Edwards, A. P.; Adawi, A. M.; Serry, M. Y.
2014-06-09
We present evidence of optical Tamm states to surface plasmon polariton (SPP) coupling. We experimentally demonstrate that for a Bragg stack with a thin metal layer on the surface, hybrid Tamm-SPP modes may be excited when a grating on the air-metal interface is introduced. Out-coupling via the grating to free space propagation is shown to enhance the transmission as well as the directionality and polarization selection for the transmitted beam. We suggest that this system will be useful on those devices, where a metallic electrical contact as well as beaming and polarization control is needed.
Efficient out-coupling and beaming of Tamm optical states via surface plasmon polariton excitation
NASA Astrophysics Data System (ADS)
Lopez-Garcia, M.; Ho, Y.-L. D.; Taverne, M. P. C.; Chen, L.-F.; Murshidy, M. M.; Edwards, A. P.; Serry, M. Y.; Adawi, A. M.; Rarity, J. G.; Oulton, R.
2014-06-01
We present evidence of optical Tamm states to surface plasmon polariton (SPP) coupling. We experimentally demonstrate that for a Bragg stack with a thin metal layer on the surface, hybrid Tamm-SPP modes may be excited when a grating on the air-metal interface is introduced. Out-coupling via the grating to free space propagation is shown to enhance the transmission as well as the directionality and polarization selection for the transmitted beam. We suggest that this system will be useful on those devices, where a metallic electrical contact as well as beaming and polarization control is needed.
Intermediate coupling for core-level excited states: Consequences for X-Ray absorption spectroscopy
Bagus, Paul S.; Sassi, Michel J.; Rosso, Kevin M.
2015-04-01
The origin of the complex NEXAFS features of X-Ray Absorption, XAS, spectra in transition metal complexes is analyzed and interpreted in terms of the angular momentum coupling of the open shell electrons. Especially for excited configurations where a core-electron is promoted to an open valence shell, the angular momentum coupling is intermediate between the two limits of Russell- Saunders, RS, coupling where spin-orbit splitting of the electron shells is neglected and j-j coupling where this splitting is taken as dominant. The XAS intensities can be understood in terms of two factors: (1) The dipole selection rules that give the allowed excited RS multiplets and (2) The contributions of these allowed multiplets to the wavefunctions of the intermediate coupled levels. It is shown that the origin of the complex XAS spectra is due to the distribution of the RS allowed multiplets over several different intermediate coupled excited levels. The specific case that is analyzed is the L2,3 edge XAS of an Fe3+ cation, because this cation allows a focus on the angular momentum coupling to the exclusion of other effects; e.g., chemical bonding. Arguments are made that the properties identified for this atomic case are relevant for more complex materials. The analysis is based on the properties of fully relativistic, ab initio, many-body wavefunctions for the initial and final states of the XAS process. The wavefunction properties considered include the composition of the wavefunctions in terms of RS multiplets and the occupations of the spin-orbit split open shells; the latter vividly show whether the coupling is j-j or not.
Jolos, R. V.; Brentano, P. von
2011-08-15
An interpretation is suggested of the recently published experimental data on the alternating parity bands in {sup 240}Pu. The interpretation is based on the assumption that the main role in the description of the properties of the alternating parity bands plays the octupole mode which preserves the axial symmetry. The mathematical technique of the supersymmetric quantum mechanics is used for the realization of the model with the two-center octupole wave functions. A good description of the parity splitting and of the ratio of the dipole and quadrupole transitional moments is obtained for the first two bands.
NASA Astrophysics Data System (ADS)
Premalatha, K.; Chandrasekar, V. K.; Senthilvelan, M.; Lakshmanan, M.
2016-07-01
We investigate the emergence of different kinds of imperfectly synchronized states and chimera states in two interacting populations of nonlocally coupled Stuart-Landau oscillators. We find that the complete synchronization in population I and existence of solitary oscillators which escape from the synchronized group in population II lead to imperfectly synchronized states for sufficiently small values of nonisochronicity parameter. Interestingly, upon increasing the strength of this parameter further there occurs an onset of mixed imperfectly synchronized states where the solitary oscillators occur from both the populations. Synchronized oscillators from both the populations are locked to a common average frequency. In both cases of imperfectly synchronized states, synchronized oscillators exhibit periodic motion while the solitary oscillators are quasiperiodic in nature. In this region, for spatially prepared initial conditions, we can observe the mixed chimera states where the coexistence of synchronized and desynchronized oscillations occur from both the populations. On the other hand, imperfectly synchronized states are not always stable, and they can drift aperiodically due to instability caused by an increase of nonisochronicity parameter. We observe that these states are robust to the introduction of frequency mismatch between the two populations.
Inducing isolated-desynchronization states in complex network of coupled chaotic oscillators
NASA Astrophysics Data System (ADS)
Lin, Weijie; Li, Huiyan; Ying, Heping; Wang, Xingang
2016-12-01
In a recent study about chaos synchronization in complex networks [Nat. Commun. 5, 4079 (2014), 10.1038/ncomms5079], it is shown that a stable synchronous cluster may coexist with vast asynchronous nodes, resembling the phenomenon of a chimera state observed in a regular network of coupled periodic oscillators. Although of practical significance, this new type of state, namely, the isolated-desynchronization state, is hardly observed in practice due to its strict requirements on the network topology. Here, by the strategy of pinning coupling, we propose an effective method for inducing isolated-desynchronization states in symmetric networks of coupled chaotic oscillators. Theoretical analysis based on eigenvalue analysis shows that, by pinning a group of symmetric nodes in the network, there exists a critical pinning strength beyond which the group of pinned nodes can completely be synchronized while the unpinned nodes remain asynchronous. The feasibility and efficiency of the control method are verified by numerical simulations of both artificial and real-world complex networks with the numerical results in good agreement with the theoretical predictions.
NASA Astrophysics Data System (ADS)
Ghoshal, Gourab; Muñuzuri, Alberto P.; Pérez-Mercader, Juan
2016-01-01
Oscillatory phenomena are ubiquitous in Nature. The ability of a large population of coupled oscillators to synchronize constitutes an important mechanism to express information and establish communication among members. To understand such phenomena, models and experimental realizations of globally coupled oscillators have proven to be invaluable in settings as varied as chemical, biological and physical systems. A variety of rich dynamical behavior has been uncovered, although usually in the context of a single state of synchronization or lack thereof. Through the experimental and numerical study of a large population of discrete chemical oscillators, here we report on the unexpected discovery of a new phenomenon revealing the existence of dynamically distinct synchronized states reflecting different degrees of communication. Specifically, we discover a novel large-amplitude super-synchronized state separated from the conventionally reported synchronized and quiescent states through an unusual sharp jump transition when sampling the strong coupling limit. Our results assume significance for further elucidating globally coherent phenomena, such as in neuropathologies, bacterial cell colonies, social systems and semiconductor lasers.
Ghoshal, Gourab; Muñuzuri, Alberto P.; Pérez-Mercader, Juan
2016-01-01
Oscillatory phenomena are ubiquitous in Nature. The ability of a large population of coupled oscillators to synchronize constitutes an important mechanism to express information and establish communication among members. To understand such phenomena, models and experimental realizations of globally coupled oscillators have proven to be invaluable in settings as varied as chemical, biological and physical systems. A variety of rich dynamical behavior has been uncovered, although usually in the context of a single state of synchronization or lack thereof. Through the experimental and numerical study of a large population of discrete chemical oscillators, here we report on the unexpected discovery of a new phenomenon revealing the existence of dynamically distinct synchronized states reflecting different degrees of communication. Specifically, we discover a novel large-amplitude super-synchronized state separated from the conventionally reported synchronized and quiescent states through an unusual sharp jump transition when sampling the strong coupling limit. Our results assume significance for further elucidating globally coherent phenomena, such as in neuropathologies, bacterial cell colonies, social systems and semiconductor lasers. PMID:26753772
Ghoshal, Gourab; Muñuzuri, Alberto P; Pérez-Mercader, Juan
2016-01-12
Oscillatory phenomena are ubiquitous in Nature. The ability of a large population of coupled oscillators to synchronize constitutes an important mechanism to express information and establish communication among members. To understand such phenomena, models and experimental realizations of globally coupled oscillators have proven to be invaluable in settings as varied as chemical, biological and physical systems. A variety of rich dynamical behavior has been uncovered, although usually in the context of a single state of synchronization or lack thereof. Through the experimental and numerical study of a large population of discrete chemical oscillators, here we report on the unexpected discovery of a new phenomenon revealing the existence of dynamically distinct synchronized states reflecting different degrees of communication. Specifically, we discover a novel large-amplitude super-synchronized state separated from the conventionally reported synchronized and quiescent states through an unusual sharp jump transition when sampling the strong coupling limit. Our results assume significance for further elucidating globally coherent phenomena, such as in neuropathologies, bacterial cell colonies, social systems and semiconductor lasers.
Kakita, Veera Mohana Rao; Kupče, Eriks; Bharatam, Jagadeesh
2015-02-01
Unambiguous measurement of homonuclear scalar couplings (J) in multi-spin scalar network systems is not straightforward. Further, the direct measurement of J-couplings is obscured in solid-state samples due to the dipolar and chemical shift anisotropy (CSA)-dominated line broadening, even under the magic angle spinning (MAS). We present a new multiple frequency selective spin-echo method based on Hadamard matrix encoding, for simultaneous measurement of multiple homonuclear scalar couplings (J) in the solid-state. In contrast to the Hadamard encoded selective excitation schemes known for the solution-state, herein the selectivity is achieved during refocusing period. The Hadamard encoded refocusing scheme concurrently allows to create the spin-spin commutation property between number of spin-pairs of choice in uniformly labelled molecules, which, therefore avoids (1) the repetition of the double selective refocusing experiments for each spin-pair and (2) the synthesis of expensive selective labelled molecules. The experimental scheme is exemplified for determining (1)JCC and (3)JCC values in (13)C6l-Histidine.HCl molecule, which are found to be in excellent agreement with those measured in conventional double frequency selective refocusing mode as well as in the solution-state. This method can be simply extended to 2D/3D pulse schemes and be applied to small bio-molecular solids.
NASA Astrophysics Data System (ADS)
Hoeck, Casper; Gotfredsen, Charlotte H.; Sørensen, Ole W.
2017-02-01
A novel method, Spin-State-Selective (S3) HMBC hetero, for accurate measurement of heteronuclear coupling constants is introduced. The method extends the S3 HMBC technique for measurement of homonuclear coupling constants by appending a pulse sequence element that interchanges the polarization in 13C-1H methine pairs. This amounts to converting the spin-state selectivity from 1H spin states to 13C spin states in the spectra of long-range coupled 1H spins, allowing convenient measurement of heteronuclear coupling constants similar to other S3 or E.COSY-type methods. As usual in this type of techniques, the accuracy of coupling constant measurement is independent of the size of the coupling constant of interest. The merits of the new method are demonstrated by application to vinyl acetate, the alkaloid strychnine, and the carbohydrate methyl β-maltoside.
Ma, Ying; Shaik, Mohammed A.; Kozberg, Mariel G.; Portes, Jacob P.; Timerman, Dmitriy
2016-01-01
Brain hemodynamics serve as a proxy for neural activity in a range of noninvasive neuroimaging techniques including functional magnetic resonance imaging (fMRI). In resting-state fMRI, hemodynamic fluctuations have been found to exhibit patterns of bilateral synchrony, with correlated regions inferred to have functional connectivity. However, the relationship between resting-state hemodynamics and underlying neural activity has not been well established, making the neural underpinnings of functional connectivity networks unclear. In this study, neural activity and hemodynamics were recorded simultaneously over the bilateral cortex of awake and anesthetized Thy1-GCaMP mice using wide-field optical mapping. Neural activity was visualized via selective expression of the calcium-sensitive fluorophore GCaMP in layer 2/3 and 5 excitatory neurons. Characteristic patterns of resting-state hemodynamics were accompanied by more rapidly changing bilateral patterns of resting-state neural activity. Spatiotemporal hemodynamics could be modeled by convolving this neural activity with hemodynamic response functions derived through both deconvolution and gamma-variate fitting. Simultaneous imaging and electrophysiology confirmed that Thy1-GCaMP signals are well-predicted by multiunit activity. Neurovascular coupling between resting-state neural activity and hemodynamics was robust and fast in awake animals, whereas coupling in urethane-anesthetized animals was slower, and in some cases included lower-frequency (<0.04 Hz) hemodynamic fluctuations that were not well-predicted by local Thy1-GCaMP recordings. These results support that resting-state hemodynamics in the awake and anesthetized brain are coupled to underlying patterns of excitatory neural activity. The patterns of bilaterally-symmetric spontaneous neural activity revealed by wide-field Thy1-GCaMP imaging may depict the neural foundation of functional connectivity networks detected in resting-state fMRI. PMID:27974609
Ma, Ying; Shaik, Mohammed A; Kozberg, Mariel G; Kim, Sharon H; Portes, Jacob P; Timerman, Dmitriy; Hillman, Elizabeth M C
2016-12-27
Brain hemodynamics serve as a proxy for neural activity in a range of noninvasive neuroimaging techniques including functional magnetic resonance imaging (fMRI). In resting-state fMRI, hemodynamic fluctuations have been found to exhibit patterns of bilateral synchrony, with correlated regions inferred to have functional connectivity. However, the relationship between resting-state hemodynamics and underlying neural activity has not been well established, making the neural underpinnings of functional connectivity networks unclear. In this study, neural activity and hemodynamics were recorded simultaneously over the bilateral cortex of awake and anesthetized Thy1-GCaMP mice using wide-field optical mapping. Neural activity was visualized via selective expression of the calcium-sensitive fluorophore GCaMP in layer 2/3 and 5 excitatory neurons. Characteristic patterns of resting-state hemodynamics were accompanied by more rapidly changing bilateral patterns of resting-state neural activity. Spatiotemporal hemodynamics could be modeled by convolving this neural activity with hemodynamic response functions derived through both deconvolution and gamma-variate fitting. Simultaneous imaging and electrophysiology confirmed that Thy1-GCaMP signals are well-predicted by multiunit activity. Neurovascular coupling between resting-state neural activity and hemodynamics was robust and fast in awake animals, whereas coupling in urethane-anesthetized animals was slower, and in some cases included lower-frequency (<0.04 Hz) hemodynamic fluctuations that were not well-predicted by local Thy1-GCaMP recordings. These results support that resting-state hemodynamics in the awake and anesthetized brain are coupled to underlying patterns of excitatory neural activity. The patterns of bilaterally-symmetric spontaneous neural activity revealed by wide-field Thy1-GCaMP imaging may depict the neural foundation of functional connectivity networks detected in resting-state fMRI.
Extensive ab initio study of the electronic states of BSe radical including spin-orbit coupling
NASA Astrophysics Data System (ADS)
Liu, Siyuan; Zhai, Hongsheng; Liu, Yufang
2016-06-01
The internally contracted multi-reference configuration interaction method (MRCI) with Davidson modification and the Douglas-Kroll scalar relativistic correction has been used to calculate the BSe molecule at the level of aug-cc-pV5Z basis set. The calculated electronic states, including 9 doublet and 6 quartet Λ-S states, are correlated to the dissociation limit of B(2Pu) + Se(3Pg) and B(2Pu) + Se(1Dg). The Spin-orbit coupling (SOC) interaction is taken into account via the state interaction approach with the full Breit-Pauli Hamiltonian operator, which causes the entire 15 Λ-S states to split into 32 Ω states. This is the first time that the spin-orbit coupling calculation has been carried out on BSe. The potential energy curves of the Λ-S and Ω electronic states are depicted with the aid of the avoided crossing rule between electronic states of the same symmetry. The spectroscopic constants of the bound Λ-S and Ω states were determined, which are in good agreement with the experimental data. The transition dipole moments (TDMs) and the Franck-Condon factors (FCs) of the transitions from the low-lying bound Ω states A2Π(I)3/2, B2Π(I)1/2 and C2Δ(I)3/2 to the ground state X2Σ+1/2 have also been presented. Based on the previous calculations, the radiative lifetimes of the A2Π(I)3/2, B2Π(I)1/2 and C2Δ(I)3/2 were evaluated.
Study of the Ionization Dynamics and Equation of State of a Strongly Coupled Plasma
Shepherd, R; Audebert, P; Geindre, J P; Iglesias, C; Foord, M; Rogers, F; Gauthier, J C; Springer, P
2003-02-06
Preliminary experiments to study the ionization dynamics and equation of state of a strongly coupled plasma have been performed at the LLNL COMET laser facility. In these experiment, a 1.0 J, 500 fs, 532 nm laser was used to create a uniform, warm dense plasma.The primary diagnostic, Fourier Domain Interferometry (FDI), was used to provide information about the position of the critical density of the target and thus the expansion hydrodynamics, laying the ground work for the plasma characterization. The plasmas were determined to be strongly coupled. In addition work was performed characterizing the back-lighter. A von Hamos spectrograph coupled to a 500 fs X-ray streak camera (TREX-VHS) developed at LLNL was used for these measurements. This diagnostic combines high collection efficiency ({approx} 10{sup -4} steradians) with fast temporal response ({approx} 500 fs), allowing resolution of extremely transient spectral variations. The TREX-VHS will be used to determine the time history, intensity, and spectral content of the back-lighter resulting in absorption measurements that provide insight into bound states in strongly coupled conditions.
Tunable transport through a quantum dot chain with side-coupled Majorana bound states
NASA Astrophysics Data System (ADS)
Jiang, Cui; Lu, Gang; Gong, Wei-Jiang
2014-09-01
We investigate the transport properties of a quantum dot (QD) chain side-coupled to a pair of Majorana bound states (MBSs). It is found that the zero-bias conductance is tightly dependent on the parity of QD number. First, if a Majorana zero mode is introduced to couple to one QD of the odd-numbered QD structure, the zero-bias conductance is equal to e/22h, but the zero-bias conductance will experience a valley-to-peak transition if the Majorana zero mode couples to the different QDs of the even-numbered QD structure. On the other hand, when the inter-MBS coupling is nonzero, the zero-bias conductance spectrum shows a peak in the odd-numbered QD structure, and in the even-numbered QD structure one conductance valley appears at the zero-bias limit. These results show the feasibility to manipulate the current in a multi-QD structure based on the QD-MBS coupling. Also, such a system can be a candidate for detecting the MBSs.
Tunable transport through a quantum dot chain with side-coupled Majorana bound states
Jiang, Cui; Lu, Gang; Gong, Wei-Jiang
2014-09-14
We investigate the transport properties of a quantum dot (QD) chain side-coupled to a pair of Majorana bound states (MBSs). It is found that the zero-bias conductance is tightly dependent on the parity of QD number. First, if a Majorana zero mode is introduced to couple to one QD of the odd-numbered QD structure, the zero-bias conductance is equal to (e{sup 2})/(2h) , but the zero-bias conductance will experience a valley-to-peak transition if the Majorana zero mode couples to the different QDs of the even-numbered QD structure. On the other hand, when the inter-MBS coupling is nonzero, the zero-bias conductance spectrum shows a peak in the odd-numbered QD structure, and in the even-numbered QD structure one conductance valley appears at the zero-bias limit. These results show the feasibility to manipulate the current in a multi-QD structure based on the QD-MBS coupling. Also, such a system can be a candidate for detecting the MBSs.
State diagram of magnetostatic coupling phase-locked spin-torque oscillators
Zhang, Mengwei; Wang, Longze; Wei, Dan; Gao, Kai-Zhong
2015-05-07
The state diagram of magnetostatic coupling phase-locked spin torque oscillator (STO) with perpendicular reference layer and planar field generation layer (FGL) is studied by the macrospin model and the micromagnetic model. The state diagrams of current densities are calculated under various external fields. The simulation shows that there are two phase-lock current density regions. In the phase-locked STOs in low current region I, the spin configuration of FGL is uniform; in high current region II, the spin configuration of FGL is highly nonuniform. In addition, the results with different STOs separation L{sub s} are compared, and the coupling between two STOs is largely decreased when L{sub s} is increased from 40 nm to 60 nm.
Finite-Time State Estimation for Coupled Markovian Neural Networks With Sensor Nonlinearities.
Wang, Zhuo; Xu, Yong; Lu, Renquan; Peng, Hui
2017-03-01
This paper investigates the issue of finite-time state estimation for coupled Markovian neural networks subject to sensor nonlinearities, where the Markov chain with partially unknown transition probabilities is considered. A Luenberger-type state estimator is proposed based on incomplete measurements, and the estimation error system is derived by using the Kronecker product. By using the Lyapunov method, sufficient conditions are established, which guarantee that the estimation error system is stochastically finite-time bounded and stochastically finite-time stable, respectively. Then, the estimator gains are obtained via solving a set of coupled linear matrix inequalities. Finally, a numerical example is given to illustrate the effectiveness of the proposed new design method.
Bhaskaran-Nair, Kiran; Kowalski, Karol
2013-05-28
The universal state selective (USS) multireference approach is used to construct new energy functionals which offer a possibility of bridging single and multireference coupled cluster theories (SR/MRCC). These functionals, which can be used to develop iterative and non-iterative approaches, utilize a special form of the trial wavefunctions, which assure additive separability (or size-consistency) of the USS energies in the non-interacting subsystem limit. When the USS formalism is combined with approximate SRCC theories, the resulting formalism can be viewed as a size-consistent version of the method of moments of coupled cluster equations employing a MRCC trial wavefunction. Special cases of the USS formulations, which utilize single reference state specific CC [V. V. Ivanov, D. I. Lyakh, and L. Adamowicz, Phys. Chem. Chem. Phys. 11, 2355 (2009)] and tailored CC [T. Kinoshita, O. Hino, and R. J. Bartlett, J. Chem. Phys. 123, 074106 (2005)] expansions are also discussed.
Vortices and vortex states in Rashba spin-orbit-coupled condensates
NASA Astrophysics Data System (ADS)
Nikolić, Predrag
2014-08-01
The Rashba spin-orbit coupling is equivalent to the finite Yang-Mills flux of a static SU(2) gauge field. It gives rise to the protected edge states in two-dimensional topological band insulators, much like magnetic field yields the integer quantum Hall effect. An outstanding question is which collective topological behaviors of interacting particles are made possible by the Rashba spin-orbit coupling. Here we address one aspect of this question by exploring the Rashba SU(2) analogs of vortices in superconductors. Using the Landau-Ginzburg approach and conservation laws, we classify the prominent two-dimensional condensates of two- and three-component spin-orbit-coupled bosons, and characterize their vortex excitations. There are two prominent types of condensates that take advantage of the Rashba spin-orbit coupling. Their vortices exist in multiple flavors whose number is determined by the spin representation, and interact among themselves through logarithmic or linear potentials as a function of distance. The vortices that interact linearly exhibit confinement and asymptotic freedom similar to quarks in quantum chromodynamics. One of the two condensate types supports small metastable neutral quadruplets of vortices, and their tiles as metastable vortex lattices. Quantum melting of such vortex lattices could give rise to non-Abelian fractional topological insulators, SU(2) analogs of fractional quantum Hall states. The physical systems in which these states could exist are trapped two- and three-component bosonic ultracold atoms subjected to artificial gauge fields, as well as solid-state quantum wells made either from Kondo insulators such as SmB6 or conventional topological insulators interfaced with conventional superconductors.
Excited states with internally contracted multireference coupled-cluster linear response theory
NASA Astrophysics Data System (ADS)
Samanta, Pradipta Kumar; Mukherjee, Debashis; Hanauer, Matthias; Köhn, Andreas
2014-04-01
In this paper, the linear response (LR) theory for the variant of internally contracted multireference coupled cluster (ic-MRCC) theory described by Hanauer and Köhn [J. Chem. Phys. 134, 204211 (2011)] has been formulated and implemented for the computation of the excitation energies relative to a ground state of pronounced multireference character. We find that straightforward application of the linear-response formalism to the time-averaged ic-MRCC Lagrangian leads to unphysical second-order poles. However, the coupling matrix elements that cause this behavior are shown to be negligible whenever the internally contracted approximation as such is justified. Hence, for the numerical implementation of the method, we adopt a Tamm-Dancoff-type approximation and neglect these couplings. This approximation is also consistent with an equation-of-motion based derivation, which neglects these couplings right from the start. We have implemented the linear-response approach in the ic-MRCC singles-and-doubles framework and applied our method to calculate excitation energies for a number of molecules ranging from CH2 to p-benzyne and conjugated polyenes (up to octatetraene). The computed excitation energies are found to be very accurate, even for the notoriously difficult case of doubly excited states. The ic-MRCC-LR theory is also applicable to systems with open-shell ground-state wavefunctions and is by construction not biased towards a particular reference determinant. We have also compared the linear-response approach to the computation of energy differences by direct state-specific ic-MRCC calculations. We finally compare to Mk-MRCC-LR theory for which spurious roots have been reported [T.-C. Jagau and J. Gauss, J. Chem. Phys. 137, 044116 (2012)], being due to the use of sufficiency conditions to solve the Mk-MRCC equations. No such problem is present in ic-MRCC-LR theory.
Impact of hyperbolicity on chimera states in ensembles of nonlocally coupled chaotic oscillators
NASA Astrophysics Data System (ADS)
Semenova, N.; Zakharova, A.; Schöll, E.; Anishchenko, V.
2016-06-01
In this work we analyse nonlocally coupled networks of identical chaotic oscillators. We study both time-discrete and time-continuous systems (Henon map, Lozi map, Lorenz system). We hypothesize that chimera states, in which spatial domains of coherent (synchronous) and incoherent (desynchronized) dynamics coexist, can be obtained only in networks of chaotic non-hyperbolic systems and cannot be found in networks of hyperbolic systems. This hypothesis is supported by numerical simulations for hyperbolic and non-hyperbolic cases.
Excited states with internally contracted multireference coupled-cluster linear response theory.
Samanta, Pradipta Kumar; Mukherjee, Debashis; Hanauer, Matthias; Köhn, Andreas
2014-04-07
In this paper, the linear response (LR) theory for the variant of internally contracted multireference coupled cluster (ic-MRCC) theory described by Hanauer and Köhn [J. Chem. Phys. 134, 204211 (2011)] has been formulated and implemented for the computation of the excitation energies relative to a ground state of pronounced multireference character. We find that straightforward application of the linear-response formalism to the time-averaged ic-MRCC Lagrangian leads to unphysical second-order poles. However, the coupling matrix elements that cause this behavior are shown to be negligible whenever the internally contracted approximation as such is justified. Hence, for the numerical implementation of the method, we adopt a Tamm-Dancoff-type approximation and neglect these couplings. This approximation is also consistent with an equation-of-motion based derivation, which neglects these couplings right from the start. We have implemented the linear-response approach in the ic-MRCC singles-and-doubles framework and applied our method to calculate excitation energies for a number of molecules ranging from CH2 to p-benzyne and conjugated polyenes (up to octatetraene). The computed excitation energies are found to be very accurate, even for the notoriously difficult case of doubly excited states. The ic-MRCC-LR theory is also applicable to systems with open-shell ground-state wavefunctions and is by construction not biased towards a particular reference determinant. We have also compared the linear-response approach to the computation of energy differences by direct state-specific ic-MRCC calculations. We finally compare to Mk-MRCC-LR theory for which spurious roots have been reported [T.-C. Jagau and J. Gauss, J. Chem. Phys. 137, 044116 (2012)], being due to the use of sufficiency conditions to solve the Mk-MRCC equations. No such problem is present in ic-MRCC-LR theory.
Generation of Dicke states in the ultrastrong-coupling regime of circuit QED systems
NASA Astrophysics Data System (ADS)
Wu, Chunfeng; Guo, Chu; Wang, Yimin; Wang, Gangcheng; Feng, Xun-Li; Chen, Jing-Ling
2017-01-01
Ultrastrong coupling in circuit quantum electrodynamics makes enhanced fast quantum operations possible. We present a scheme to realize controllable qubit-resonator interactions in ultrastrong circuit quantum electrodynamics with the aid of a unitary transformation. The controllable qubit-resonator interaction is just one type of the so-called selective resonant interactions. From the effective dynamics, it is possible to create the multipartite Dicke states at nanoseconds with high fidelity if the large detuning constraint of the selective resonant interaction is fulfilled. We also investigate the performance of our scheme in the presence of decoherence. Our results present a promising way toward achieving enhanced fast generation of the Dicke states.
Pulse Transmission and State Conversion in Two-mode Optomechanical Cavity Coupled with Atomic Medium
NASA Astrophysics Data System (ADS)
Han, Yan; Cheng, Jiong; Zhou, Ling
2014-08-01
We investigate the quantum state conversion between cavity modes of distinctively different wavelengths for the two-mode optomechanical cavity coupled with the three-level lambda atom. In the frequency domain, we show that the coherence of atom medium leads to the two maximum transmissions. We also show that the injected atom can interrupt the traveling photon pulses which is transmitted between the different input and output channels. Thus, the addition of atom provides us a way to control the transmission between the quantum states of two cavity modes and the photon information storage.
Exotic topological states with Raman-induced spin-orbit coupling
NASA Astrophysics Data System (ADS)
Deng, Y.; Shi, T.; Hu, H.; You, L.; Yi, S.
2017-02-01
We propose a simple experimental scheme to realize simultaneously the one-dimensional spin-orbit coupling and the staggered spin flip in ultracold pseudospin-1 /2 atomic Fermi gases trapped in optical lattices. In the absence of interspecies interactions, the system supports type-I and II Weyl semimetals in three-dimensional and gapped Chern insulators and gapless topological semimetal states in two-dimensional lattices. By turning on the s -wave interactions, a rich variety of gapped and gapless inhomogeneous topological superfluids can emerge. In particular, a gapped topological Fulde-Ferrell superfluid, which supports the chiral edge states at opposite boundaries with the same chirality, is predicted.
Yu, Rong; Trinh, Kien T.; Moreo, Adriana; Daghofer, Maria; Riera, J. A.; Haas, Stephan; Dagotto, Elbio R
2009-01-01
Multiorbital Hubbard model Hamiltonians for the undoped parent compounds of the Fe-pnictide superconductors are investigated here using mean-field techniques. For a realistic four-orbital model, our results show the existence of an intermediate Hubbard U coupling regime where the mean-field ground state has a ,0 antiferromagnetic order, as in neutron-scattering experiments, while remaining metallic due to the phenomenon of band overlaps. The angle-resolved photoemission intensity and Fermi surface of this magnetic and metallic state are discussed. Other models are also investigated, including a two-orbital model where not only the mean-field technique can be used but also the exact diagonalization in small clusters and the variational cluster approximation in the bulk. The combined results of the three techniques point toward the existence of an intermediate-coupling magnetic and metallic state in the two-orbital model, similar to the intermediatecoupling mean-field state of the four-orbital model. We conclude that the state discussed here is compatible with the experimentally known properties of the undoped Fe pnictides.
Auger decay rates of core hole states using equation of motion coupled cluster method
NASA Astrophysics Data System (ADS)
Ghosh, Aryya; Vaval, Nayana; Pal, Sourav
2017-01-01
The recent development of Linac coherent light source high intense X-ray laser makes it possible to create double core ionization in the molecule. The generation of double core hole state and its decay is identified by Auger spectroscopy. The decay of this double core hole (DCH) states can be used as a powerful spectroscopic tool in chemical analysis. In the present work, we have implemented a promising approach, known as CAP-EOMCC method, which is a combination of complex absorbing potential (CAP) and equation-of-motion coupled cluster (EOMCC) approach to calculate the lifetime of single and double core hole states. We have applied this method to calculate the lifetime of the single core hole (K-LL) and double core hole (KK-KLL) states of CH4, NH3 and HF molecules. The predicted lifetime is found to be extremely short.
Xu, H. K.; Song, C.; Liu, W. Y.; Xue, G. M.; Su, F. F.; Deng, H.; Tian, Ye; Zheng, D. N.; Han, Siyuan; Zhong, Y. P.; Wang, H.; Liu, Yu-xi; Zhao, S. P.
2016-01-01
Stimulated Raman adiabatic passage offers significant advantages for coherent population transfer between uncoupled or weakly coupled states and has the potential of realizing efficient quantum gate, qubit entanglement and quantum information transfer. Here we report on the realization of the process in the superconducting Xmon and phase qutrits—two ladder-type three-level systems in which the ground state population is coherently transferred to the second excited state via the dark state subspace. We demonstrate that the population transfer efficiency is no less than 96% and 67% for the two devices, which agree well with the numerical simulation of the master equation. Population transfer via stimulated Raman adiabatic passage is significantly more robust against variations of the experimental parameters compared with that via the conventional resonant π pulse method. Our work opens up a new venue for exploring the process for quantum information processing using the superconducting artificial atoms. PMID:27009972
NASA Astrophysics Data System (ADS)
Brown, Frank R.
Coherent state techniques have proved a useful formal tool for obtaining the N = infty limit of a variety of quantum mechanical systems, in part because they allow one to explicitly construct the classical Hamiltonian and classical phase space that define the dynamics of the large N system. This construction is sufficiently concrete that it naturally suggests methods for carrying out practical calculations. We discuss two such methods, one numerical and the other a classical strong coupling expansion, for calculating the mass spectrum of pure U (infty) Hamiltonian lattice gauge theory. Both involve calculating coherent state expectation values of the quantum Hamiltonian to obtain a classical Hamiltonian as a function on the space of coherent states, and solving for the coherent state (the point in classical configuration space) that minimizes this classical Hamiltonian. Finally the frequencies of classical small oscillations about this minimum give the large N limit of the quantum mechanical excitation spectrum.
NASA Astrophysics Data System (ADS)
Quesada, J. M.; Capote, R.; Soukhovitskiı˜, E. Sh.; Chiba, S.
2014-04-01
Tamura's coupling formalism has been extended to consider low-lying rotational bands built on vibrational (single-particle) band heads in well-deformed even-even (odd) actinides. These additional excitations are introduced as a perturbation to the underlying rigid rotor structure that is known to describe well the ground state rotational band of major actinides. Coupling matrix elements needed in extended Tamura's formalism are derived for both even-even and odd actinides. Employed dispersive optical model (DCCOMP) replaces the incident proton energy Ep (for proton induced reactions) by the equivalent Coulomb subtracted energy in all potential terms including both the imaginary and real potentials with the corresponding dispersive corrections. Therefore, the optical potential becomes fully symmetric for protons and neutrons. This potential is used to fit simultaneously all the available optical experimental databases (including neutron strength functions) for nucleon scattering on 238U and 232Th (even even) nuclei. Quasi-elastic (p,n) scattering data to the isobaric analogue states of the target nuclei are also used to constrain the isovector part of the optical potential. Derived Lane-consistent DCCOMP is based on coupling of almost all levels below 1 MeV of excitation energy. The ground state, octupole, beta, gamma and non-axial rotational bands are considered for even nuclei, and rotational bands built on single-particle levels - for odd nuclei. Application of derived potential to odd targets based on a new coupling scheme is foreseen.
Transfer behavior of quantum states between atoms in photonic crystal coupled cavities
Zhang Ke; Li Zhiyuan
2010-03-15
In this article, we discuss the one-excitation dynamics of a quantum system consisting of two two-level atoms each interacting with one of two coupled single-mode cavities via spontaneous emission. When the atoms and cavities are tuned into resonance, a wide variety of time-evolution behaviors can be realized by modulating the atom-cavity coupling strength g and the cavity-cavity hopping strength {lambda}. The dynamics is solved rigorously via the eigenproblem of an ordinary coupled linear system and simple analytical solutions are derived at several extreme situations of g and {lambda}. In the large hopping limit where g<<{lambda}, the behavior of the system is the linear superposition of a fast and slow periodic oscillation. The quantum state transfers from one atom to the other atom accompanied with weak excitation of the cavity mode. In the large coupling limit where g>>{lambda}, the time-evolution behavior of the system is characterized by the usual slowly varying carrier envelope superimposed upon a fast and violent oscillation. At a certain instant, the energy is fully transferred from the one quantum subsystem to the other. When the two interaction strengths are comparable in magnitude, the dynamics acts as a continuous pulse having irregular frequency and line shape of peaks and valleys, and the complicated time-evolution behaviors are ascribed to the violent competition between all the one-excitation quantum states. The coupled quantum system of atoms and cavities makes a good model to study cavity quantum electrodynamics with great freedoms of many-body interaction.
Badugu, Ramachandram; Descrovi, Emiliano; Lakowicz, Joseph R.
2014-01-01
There is a continuing need to increase the brightness and photostability of fluorophores for use in biotechnology, medical diagnostics and cell imaging. One approach developed during the past decade is to use metallic surfaces and nanostructures. It is now known that excited state fluorophores display interactions with surface plasmons, which can increase the radiative decay rates, modify the spatial distribution of emission and result in directional emission. One important example is Surface Plasmon-Coupled Emission (SPCE). In this phenomenon the fluorophores at close distances from a thin metal film, typically silver, display emission over a small range of angles into the substrate. A disadvantage of SPCE is that the emission occur at large angles relative to the surface normal, and at angles which are larger than the critical angle for the glass substrate. The large angles make it difficult to collect all the coupled emission and have prevented use of SPCE with high-throughput and/or array applications. In the present report we describe a simple multi-layer metal-dielectric structure which allows excitation with light that is perpendicular (normal) to the plane and provides emission within a narrow angular distribution that is normal to the plane. This structure consist of a thin silver film on top of a multi-layer dielectric Bragg grating, with no nanoscale features except for the metal or dielectric layer thicknesses. Our structure is designed to support optical Tamm states, which are trapped electromagnetic modes between the metal film and the underlying Bragg grating. We used simulations with the transfer matrix method to understand the optical properties of Tamm states and localization of the modes or electric fields in the structure. Tamm states can exist with zero in-plane wavevector components and can be created without the use of a coupling prism. We show that fluorophores on top of the metal film can interact with the Tamm state under the metal film
NASA Technical Reports Server (NTRS)
Green, S.
1976-01-01
The formalism for describing rotational excitation in collisions between symmetric top rigid rotors and spherical atoms is presented both within the accurate quantum close coupling framework and also the coupled states approximation of McGuire and Kouri and the effective potential approximation of Rabitz. Calculations are reported for thermal energy NH3-He collisions, treating NH3 as a rigid rotor and employing a uniform electron gas (Gordon-Kim) approximation for the intermolecular potential. Coupled states are found to be in nearly quantitative agreement with close coupling results while the effective potential method is found to be at least qualitatively correct. Modifications necessary to treat the inversion motion in NH3 are discussed.
State and Parameter Estimation for a Coupled Ocean--Atmosphere Model
NASA Astrophysics Data System (ADS)
Ghil, M.; Kondrashov, D.; Sun, C.
2006-12-01
The El-Nino/Southern-Oscillation (ENSO) dominates interannual climate variability and plays, therefore, a key role in seasonal-to-interannual prediction. Much is known by now about the main physical mechanisms that give rise to and modulate ENSO, but the values of several parameters that enter these mechanisms are an important unknown. We apply Extended Kalman Filtering (EKF) for both model state and parameter estimation in an intermediate, nonlinear, coupled ocean--atmosphere model of ENSO. The coupled model consists of an upper-ocean, reduced-gravity model of the Tropical Pacific and a steady-state atmospheric response to the sea surface temperature (SST). The model errors are assumed to be mainly in the atmospheric wind stress, and assimilated data are equatorial Pacific SSTs. Model behavior is very sensitive to two key parameters: (i) μ, the ocean-atmosphere coupling coefficient between SST and wind stress anomalies; and (ii) δs, the surface-layer coefficient. Previous work has shown that δs determines the period of the model's self-sustained oscillation, while μ measures the degree of nonlinearity. Depending on the values of these parameters, the spatio-temporal pattern of model solutions is either that of a delayed oscillator or of a westward propagating mode. Estimation of these parameters is tested first on synthetic data and allows us to recover the delayed-oscillator mode starting from model parameter values that correspond to the westward-propagating case. Assimilation of SST data from the NCEP-NCAR Reanalysis-2 shows that the parameters can vary on fairly short time scales and switch between values that approximate the two distinct modes of ENSO behavior. Rapid adjustments of these parameters occur, in particular, during strong ENSO events. Ways to apply EKF parameter estimation efficiently to state-of-the-art coupled ocean--atmosphere GCMs will be discussed.
Feller, David; Peterson, Kirk A; Davidson, Ernest R
2014-09-14
A systematic sequence of configuration interaction and coupled cluster calculations were used to describe selected low-lying singlet and triplet vertically excited states of ethylene with the goal of approaching the all electron, full configuration interaction/complete basis set limit. Included among these is the notoriously difficult, mixed valence/Rydberg (1)B(1u) V state. Techniques included complete active space and iterative natural orbital configuration interaction with large reference spaces which led to variational spaces of 1.8 × 10(9) parameters. Care was taken to avoid unintentionally biasing the results due to the widely recognized sensitivity of the V state to the details of the calculation. The lowest vertical and adiabatic ionization potentials to the (2)B(3u) and (2)B3 states were also determined. In addition, the heat of formation of twisted ethylene (3)A1 was obtained from large basis set coupled cluster theory calculations including corrections for core/valence, scalar relativistic and higher order correlation recovery.
Feller, David Peterson, Kirk A.; Davidson, Ernest R.
2014-09-14
A systematic sequence of configuration interaction and coupled cluster calculations were used to describe selected low-lying singlet and triplet vertically excited states of ethylene with the goal of approaching the all electron, full configuration interaction/complete basis set limit. Included among these is the notoriously difficult, mixed valence/Rydberg {sup 1}B{sub 1u} V state. Techniques included complete active space and iterative natural orbital configuration interaction with large reference spaces which led to variational spaces of 1.8 × 10{sup 9} parameters. Care was taken to avoid unintentionally biasing the results due to the widely recognized sensitivity of the V state to the details of the calculation. The lowest vertical and adiabatic ionization potentials to the {sup 2}B{sub 3u} and {sup 2}B{sub 3} states were also determined. In addition, the heat of formation of twisted ethylene {sup 3}A{sub 1} was obtained from large basis set coupled cluster theory calculations including corrections for core/valence, scalar relativistic and higher order correlation recovery.
Cruz, Chad D; Christensen, Peter R; Chronister, Eric L; Casanova, David; Wolf, Michael O; Bardeen, Christopher J
2015-10-07
Symmetric dimers have the potential to optimize energy transfer and charge separation in optoelectronic devices. In this paper, a combination of optical spectroscopy (steady-state and time-resolved) and electronic structure theory is used to analyze the photophysics of sulfur-bridged terthiophene dimers. This class of dimers has the unique feature that the interchromophore (intradimer) electronic coupling can be modified by varying the oxidation state of the bridging sulfur from sulfide (S), to sulfoxide (SO), to sulfone (SO2). Photoexcitation leads to the formation of a delocalized charge resonance state (S1) that relaxes quickly (<10 ps) to a charge-transfer state (S1*). The amount of charge-transfer character in S1* can be enhanced by increasing the oxidation state of the bridging sulfur group as well as the solvent polarity. The S1* state has a decreased intersystem crossing rate when compared to monomeric terthiophene, leading to an enhanced photoluminescence quantum yield. Computational results indicate that electrostatic screening by the bridging sulfur electrons is the key parameter that controls the amount of charge-transfer character. Control of the sulfur bridge oxidation state provides the ability to tune interchromophore interactions in covalent assemblies without altering the molecular geometry or solvent polarity. This capability provides a new strategy for the design of functional supermolecules with applications in organic electronics.
Trail, Collin M; Madhok, Vaibhav; Deutsch, Ivan H
2008-10-01
We study the dynamical generation of entanglement as a signature of chaos in a system of periodically kicked coupled tops, where chaos and entanglement arise from the same physical mechanism. The long-time-averaged entanglement as a function of the position of an initially localized wave packet very closely correlates with the classical phase space surface of section--it is nearly uniform in the chaotic sea, and reproduces the detailed structure of the regular islands. The uniform value in the chaotic sea is explained by the random state conjecture. As classically chaotic dynamics take localized distributions in phase space to random distributions, quantized versions take localized coherent states to pseudorandom states in Hilbert space. Such random states are highly entangled, with an average value near that of the maximally entangled state. For a map with global chaos, we derive that value based on analytic results for the entropy of random states. For a mixed phase space, we use the Percival conjecture to identify a "chaotic subspace" of the Hilbert space. The typical entanglement, averaged over the unitarily invariant Haar measure in this subspace, agrees with the long-time-averaged entanglement for initial states in the chaotic sea. In all cases the dynamically generated entanglement is that of a random complex vector, even though the system is time-reversal invariant, and the Floquet operator is a member of the circular orthogonal ensemble.
Demonstration of surface plasmon-coupled emission using solid-state electrochemiluminescence
NASA Astrophysics Data System (ADS)
Yuk, Jong Seol; O'Reilly, Emmet; Forster, Robert J.; MacCraith, Brian D.; McDonagh, Colette
2011-09-01
We have presented novel surface plasmon-coupled emission (SPCE) based on solid-state electrochemiluminescence (ECL) of Nafion films containing tris(2,2'-bipyridyl)ruthenium(II). This approach combines the advantages of ECL, efficient emission in the absence of an external light source, with the highly directional emission of SPCE. We described theoretical calculations and optimal Nafion film thickness to get SPCE based on solid-state ECL. We confirmed the SPCE and dose-dependent SPCE response from the concentration range of 0.05-0.5% (w/v) [Ru(bpy) 3] 2+ in the Nafion film. SPCE based on solid-state ECL can be used as a useful platform for the analysis of chemical and biomolecular interactions.
Strong intermolecular exciton couplings in solid-state circular dichroism of aryl benzyl sulfoxides.
Padula, Daniele; Di Pietro, Sebastiano; Capozzi, Maria Annunziata M; Cardellicchio, Cosimo; Pescitelli, Gennaro
2014-09-01
A series of 13 enantiopure aryl benzyl sulfoxides () with different substituents on the two aromatic rings has been previously analyzed by means of electronic circular dichroism (CD) spectroscopy. Most of these compounds are crystalline and their X-ray structure is established. For almost one-half of the series, CD spectra measured in the solid state were quite different from those in acetonitrile solution. We demonstrate that the difference is due to strong exciton couplings between molecules packed closely together in the crystal. The computational approach consists of time-dependent density functional theory (TDDFT) calculations run on "dimers" composed of nearest neighbors found in the lattice. Solid-state CD spectra are well reproduced by the average of all possible pairwise terms. The relation between the crystal space group and conformation, and the appearance of solid-state CD spectra, is also discussed.
Effect of basic state on seasonal variation of convectively coupled Rossby wave
NASA Astrophysics Data System (ADS)
Wang, Lu; Chen, Lin
2017-03-01
Convectively coupled equatorial Rossby (ER) waves display maximum varability over the northern hemisphere during boreal summer and over the southern hemisphere during boreal winter. It suggests that the seasonal variation of ER waves is significantly affected by the annual cycle of basic state. However, which specific environmental factor plays a determining role remains obscure. This study investigates the background influence on the seasonal variation of ER wave by employing an intermediate anomaly atmospheric model. By prescribing boreal summer/winter seasonal mean state as the model's basic state, the authors found that the model is able to simulate the trapping of the ER wave purtrubation over the northern/southern hemisphere as in observation. Further sensitivity experiments suggest that the moisture distribution plays a major role in modulating the ER wave structure while the mosoonal flows play a minor role.
The Coriolis-Coupled States v(6) = 1 and v(8) = 1 of DCOOH.
Baskakov; Alanko; Koivusaari
1999-11-01
The Fourier transform gas-phase infrared spectra of the Coriolis-perturbed nu(6) and nu(8) bands of deuterated formic acid DCOOH were measured with a resolution of ca. 0.003 cm(-1). Combined analysis of the 8977 IR transitions and all the available rotational data (from literature) in the ground state, as well as in the excited vibrational states v(6) = 1 and v(8) = 1 was carried out. The Coriolis coupling terms were determined and improved sets of rotational and centrifugal distortion parameters for the ground and excited vibrational states were obtained. The determined band centers are nu(0) (nu(8)) = 873.385046(12) cm(-1) and nu(0) (nu(6)) = 970.8889551(46) cm(-1). Copyright 1999 Academic Press.
Spin-orbit coupling controlled ground state in Sr2ScOsO6
NASA Astrophysics Data System (ADS)
Taylor, A. E.; Morrow, R.; Fishman, R. S.; Calder, S.; Kolesnikov, A. I.; Lumsden, M. D.; Woodward, P. M.; Christianson, A. D.
2016-06-01
We report neutron scattering experiments which reveal a large spin gap in the magnetic excitation spectrum of weakly-monoclinic double perovskite Sr2ScOsO6 . The spin gap is demonstrative of appreciable spin-orbit-induced anisotropy, despite nominally orbitally-quenched 5 d3Os5 + ions. The system is successfully modeled including nearest neighbor interactions in a Heisenberg Hamiltonian with exchange anisotropy. We find that the presence of the spin-orbit-induced anisotropy is essential for the realization of the type I antiferromagnetic ground state. This demonstrates that physics beyond the LS or JJ coupling limits plays an active role in determining the collective properties of 4 d3 and 5 d3 systems and that theoretical treatments must include spin-orbit coupling.
Spin-orbit coupling controlled ground state in Sr2ScOsO6
Taylor, A. E.; Morrow, R.; Fishman, R. S.; ...
2016-06-27
In this paper, we report neutron scattering experiments which reveal a large spin gap in the magnetic excitation spectrum of weakly-monoclinic double perovskite Sr2ScOsO6. The spin gap is demonstrative of appreciable spin-orbit-induced anisotropy, despite nominally orbitally-quenched 5d3Os5+ ions. The system is successfully modeled including nearest neighbor interactions in a Heisenberg Hamiltonian with exchange anisotropy. We find that the presence of the spin-orbit-induced anisotropy is essential for the realization of the type I antiferromagnetic ground state. Finally, this demonstrates that physics beyond the LS or JJ coupling limits plays an active role in determining the collective properties of 4d3 and 5d3more » systems and that theoretical treatments must include spin-orbit coupling.« less
Remarkable coincidence for the top Yukawa coupling and an approximately massless bound state
Froggatt, C. D.; Nielsen, H. B.
2009-08-01
We calculate, with several corrections, the nonrelativistic binding by Higgs exchange and gluon exchange between six top and six antitop quarks (actually replaced by left-handed b quarks from time to time). The remarkable result is that, within our calculational accuracy of the order of 14% in the top-quark Yukawa coupling g{sub t}, the experimental running top-quark Yukawa coupling g{sub t}=0.935 happens to have just that value which gives a perfect cancellation of the unbound mass=12 top-quark masses by this binding energy. In other words the bound state is massless to the accuracy of our calculation. Our calculation is in disagreement with a similar calculation by Kuchiev et al., but this deviation may be explained by a phase transition. We and Kuchiev et al. compute on different sides of this phase transition.
Chu, Tian-Shu; Han, Ke-Li; Hankel, Marlies; Balint-Kurti, Gabriel G
2007-06-07
The quantum wavepacket parallel computational code DIFFREALWAVE is used to calculate state-to-state integral and differential cross sections for the title reaction on the BKMP2 surface in the total energy range of 0.4-1.2 eV with D2 initially in its ground vibrational-rotational state. The role of Coriolis couplings in the state-to-state quantum calculations is examined in detail. Comparison of the results from calculations including the full Coriolis coupling and those using the centrifugal sudden approximation demonstrates that both the energy dependence and the angular dependence of the calculated cross sections are extremely sensitive to the Coriolis coupling, thus emphasizing the importance of including it correctly in an accurate state-to-state calculation.
Kawakami, R.K.; Rotenberg, E.; Escorcia-Aparicio, E.J.; Choi, Hyuk J.; Wolfe, J.H.; Smith, N.V.; Qiu, Z.Q.
1999-05-17
The relation between the quantum well (QW) states and the oscillatory magnetic coupling in Co/Cu/Co grown on Cu(100) was investigated by angle-resolved photoemission spectroscopy, magnetic x-ray linear dichroism, and the surface magneto-optic Kerr effect. The QW states were explained quantitatively using the phase accumulation model, and the derived QW phases at the Cu/Co interface were used to calculate the interlayer coupling. The agreement between this calculation and the experimental result reveals that the phase relation between the long- and short-period couplings is determined by the phase relation of the QW states in k-space.
Large trigonal-field effect on spin-orbit coupled states in a pyrochlore iridate
NASA Astrophysics Data System (ADS)
Uematsu, Daisuke; Sagayama, Hajime; Arima, Taka-hisa; Ishikawa, Jun J.; Nakatsuji, Satoru; Takagi, Hidenori; Yoshida, Masahiro; Mizuki, Jun'ichiro; Ishii, Kenji
2015-09-01
The half-filled topmost valence band of Ir4 + in several iridates such as Sr2IrO4 ,IrO2, and CaIrO3 has been proposed to originate mainly from the spin-orbit coupled Jeff=1 /2 states. In pyrochlore iridates R2Ir2O7 (R : rare earth), some exotic electronic states are theoretically proposed by assuming Jeff=1 /2 states. However, the octahedral coordination around Ir is trigonally distorted, which may affect the energy level scheme of Ir 5 d states. Here, we report spectra of resonant elastic and inelastic x-ray scattering in Eu2Ir2O7 at the Ir L edges. A large suppression of the magnetic scattering signal at the Ir LII edge supports the Jeff=1 /2 picture rather than the S =1 /2 one. The inelastic scattering spectrum indicates that the magnitude of the trigonal field on the Ir4 + states is evaluated to be comparable to the spin-orbit interaction. The energy diagram of the 5 d state is proposed based on the simple cluster model.
Photoabsorption of attosecond XUV light pulses by two strongly laser-coupled autoionizing states
NASA Astrophysics Data System (ADS)
Chu, Wei-Chun; Lin, C. D.
2012-01-01
We study theoretically the photoabsorption spectra of an attosecond extreme ultraviolet (XUV) pulse by a laser-dressed atomic system. A weak XUV excites an autoionizing state which is strongly coupled to another autoionizing state by a laser. The theory was applied to explain two recent experiments [Loh, Greene, and Leone, Chem. Phys.CMPHC20301-010410.1016/j.chemphys.2007.11.005 350, 7 (2008); Wang, Chini, Chen, Zhang, Cheng, He, Cheng, Wu, Thumm, and Chang, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.105.143002 105, 143002 (2010)] where the absorption spectra of the XUV lights were measured against the time delay between the laser and the XUV. In another example, we study an attosecond pulse exciting the 2s2p(1P) resonance of helium which is resonantly coupled to the 2s2(1S) resonance by a moderately intense 540-nm laser. The relation between the photoabsorption spectra and the photoelectron spectra and the modification of the transmitted lights in such an experiment are analyzed. The role of Rabi flopping between the two autoionizing states within their lifetimes is investigated with respect to the laser intensity and detuning.
Excited-state positronium formation in positron-hydrogen collisions under weakly coupled plasmas
NASA Astrophysics Data System (ADS)
Rej, Pramit; Ghoshal, Arijit
2016-06-01
The effect of screening of weakly coupled plasma on positronium (Ps) formation in excited states in the scattering of a positron from the ground state of a hydrogen atom has been investigated using a distorted wave theory which includes screened dipole polarization potential. The effect of external plasma has been incorporated by using the Debye-Hückel screening model of the interacting charge particles. Variationally determined simple hydrogenic wave functions have been used to obtain the distorted wave scattering amplitude in a closed form. Effects of plasma screening on the differential and total cross sections have been studied in detail in the energy range 20-300 eV of incident positron. For the free atomic case, our results agree nicely with some of the most accurate results available in the literature. To the best of our knowledge, such a study on the differential and total cross sections for Ps formation in highly excited states in positron-hydrogen collisions under weakly coupled plasma is reported first time in the literature.
Radu, I; Vahaplar, K; Stamm, C; Kachel, T; Pontius, N; Dürr, H A; Ostler, T A; Barker, J; Evans, R F L; Chantrell, R W; Tsukamoto, A; Itoh, A; Kirilyuk, A; Rasing, Th; Kimel, A V
2011-04-14
Ferromagnetic or antiferromagnetic spin ordering is governed by the exchange interaction, the strongest force in magnetism. Understanding spin dynamics in magnetic materials is an issue of crucial importance for progress in information processing and recording technology. Usually the dynamics are studied by observing the collective response of exchange-coupled spins, that is, spin resonances, after an external perturbation by a pulse of magnetic field, current or light. The periods of the corresponding resonances range from one nanosecond for ferromagnets down to one picosecond for antiferromagnets. However, virtually nothing is known about the behaviour of spins in a magnetic material after being excited on a timescale faster than that corresponding to the exchange interaction (10-100 fs), that is, in a non-adiabatic way. Here we use the element-specific technique X-ray magnetic circular dichroism to study spin reversal in GdFeCo that is optically excited on a timescale pertinent to the characteristic time of the exchange interaction between Gd and Fe spins. We unexpectedly find that the ultrafast spin reversal in this material, where spins are coupled antiferromagnetically, occurs by way of a transient ferromagnetic-like state. Following the optical excitation, the net magnetizations of the Gd and Fe sublattices rapidly collapse, switch their direction and rebuild their net magnetic moments at substantially different timescales; the net magnetic moment of the Gd sublattice is found to reverse within 1.5 picoseconds, which is substantially slower than the Fe reversal time of 300 femtoseconds. Consequently, a transient state characterized by a temporary parallel alignment of the net Gd and Fe moments emerges, despite their ground-state antiferromagnetic coupling. These surprising observations, supported by atomistic simulations, provide a concept for the possibility of manipulating magnetic order on the timescale of the exchange interaction.
Relativistic linearized coupled-cluster single-double calculations of positron-atom bound states
NASA Astrophysics Data System (ADS)
Dzuba, V. A.; Flambaum, V. V.; Gribakin, G. F.; Harabati, C.
2012-09-01
Relativistic linearized coupled-cluster single-double approximation with third-order corrections is used to calculate positron-atom bound states. The method is tested on closed-shell atoms such as Be, Mg, Ca, Zn, Cd, and Hg, where a number of accurate calculations are available. It is then used to calculate positron binding energies for a range of open-shell transition metal atoms from Sc to Cu, from Y to Pd, and from Lu to Pt. These systems possess Feshbach resonances, which can be used to search for positron-atom binding experimentally through resonant annihilation or scattering.
NASA Technical Reports Server (NTRS)
Chong, D. P.; Langhoff, S. R.
1986-01-01
A modified coupled pair functional (CPF) method is presented for the configuration interaction problem that dramatically improves properties for cases where the Hartree-Fock reference configuration is not a good zeroth-order wave function description. It is shown that the tendency for CPF to overestimate the effect of higher excitations arises from the choice of the geometric mean for the partial normalization denominator. The modified method is demonstrated for ground state dipole moment calculations of the NiH, CuH, and ZnH transition metal hydrides, and compared to singles-plus-doubles configuration interaction and the Ahlrichs et al. (1984) CPF method.
Gioannini, Mariangela; Dommermuth, Marius; Drzewietzki, Lukas; Krestnikov, Igor; Livshits, Daniil; Krakowski, Michel; Breuer, Stefan
2014-09-22
We exploit the coupled emission-states of a single-chip semiconductor InAs/GaAs quantum-dot laser emitting simultaneously on ground-state (λ(GS) = 1245 nm) and excited-state (λ(ES) = 1175 nm) to demonstrate coupled-two-state self-mixing velocimetry for a moving diffuse reflector. A 13 Hz-narrow Doppler beat frequency signal at 317 Hz is obtained for a reflector velocity of 3 mm/s, which exemplifies a 66-fold improvement in width as compared to single-wavelength self-mixing velocimetry. Simulation results reveal the physical origin of this signal, the coupling of excited-state and ground-state photons via the carriers, which is unique for quantum-dot lasers and reproduce the experimental results with excellent agreement.
NASA Astrophysics Data System (ADS)
Zhao, Shutao; Li, Rui; Zhang, Hua; Li, Huiquan
2017-03-01
The 10 Ʌ-S states associated with the lowest four dissociation limits of PbH radical have been studied utilizing configuration interaction method. For better accuracy, the Davidson correction, core-valence correlation and spin-orbit coupling effects are included. The potential energy curves of 10 Ʌ-S states and 18 Ω states have been obtained and characterized. The computed dipole moments of 10 Ʌ-S states are used to reveal the ionic characteristics of the Ʌ-S states. Finally, the transitional dipole moments of several bound Ω states and lifetimes of vibrational states trapped in excited bound Ω states are determined.
Coupled dynamics of node and link states in complex networks: a model for language competition
NASA Astrophysics Data System (ADS)
Carro, Adrián; Toral, Raúl; San Miguel, Maxi
2016-11-01
Inspired by language competition processes, we present a model of coupled evolution of node and link states. In particular, we focus on the interplay between the use of a language and the preference or attitude of the speakers towards it, which we model, respectively, as a property of the interactions between speakers (a link state) and as a property of the speakers themselves (a node state). Furthermore, we restrict our attention to the case of two socially equivalent languages and to socially inspired network topologies based on a mechanism of triadic closure. As opposed to most of the previous literature, where language extinction is an inevitable outcome of the dynamics, we find a broad range of possible asymptotic configurations, which we classify as: frozen extinction states, frozen coexistence states, and dynamically trapped coexistence states. Moreover, metastable coexistence states with very long survival times and displaying a non-trivial dynamics are found to be abundant. Interestingly, a system size scaling analysis shows, on the one hand, that the probability of language extinction vanishes exponentially for increasing system sizes and, on the other hand, that the time scale of survival of the non-trivial dynamical metastable states increases linearly with the size of the system. Thus, non-trivial dynamical coexistence is the only possible outcome for large enough systems. Finally, we show how this coexistence is characterized by one of the languages becoming clearly predominant while the other one becomes increasingly confined to ‘ghetto-like’ structures: small groups of bilingual speakers arranged in triangles, with a strong preference for the minority language, and using it for their intra-group interactions while they switch to the predominant language for communications with the rest of the population.
Spin-orbit coupling in InSb semiconductor nanowires: physical limits for majorana states
NASA Astrophysics Data System (ADS)
Sipahi, Guilherme; de Campos, Tiago; Faria Junior, Paulo E.; Gmitra, Martin; Zutic, Igor; Fabian, Jaroslav
The search for Majorana fermions is a hot subject nowadays. One of the possibilities for their realization is the use of semiconductor nanowires and p-type superconductors coupled together. Following this path, the first step is the determination of realistic band structures of these wires including spin-orbit effects. To consider the spin-orbit effects, its common to use models that take into account only the first conduction band. Although these reduced models have been successfully used to determine some physical properties, a more realistic description of the spin-orbit coupling between the bands is required to further investigate possible ways to realize the Majorana fermions. In this study we use a state of the art 14 band k.p formalism together with the envelope function approach to determine the band structure of InAs semiconductor nanowires and analyze how the quantum confinement change the coupling between the bands. As a result we have extracted the effective masses and the spin-orbit splitting for a large range of nanowire radial sizes and for several conduction bands that can be used in effective models. FAPESP (No. 2011/19333-4, No. 2012/05618-0 and No. 2013/23393-8), CNPq (No. 246549/2012-2 and No. 149904/2013-4), CAPES(PVE 88881.068174/2014-01) and DFG SFB 689.
Coupling of the electrocaloric and electromechanical effects for solid-state refrigeration
NASA Astrophysics Data System (ADS)
Bradeško, A.; Juričić, Äń.; Santo Zarnik, M.; Malič, B.; Kutnjak, Z.; Rojac, T.
2016-10-01
Electrocaloric (EC) materials have shown the potential to replace some of the technologies in current commercial refrigeration systems. The key problem when fabricating an efficient EC refrigerator is the small adiabatic temperature change that current bulk materials can achieve. Therefore, such a solid-state EC refrigerator should be engineered to enhance the EC temperature change by rectifying the induced EC heat flow. Here, we present a numerical study of a device that couples the EC and electromechanical (EM) effects in a single active material. The device consists of several elements made from a functional material with coupled EC and EM properties, allowing the elements to bend and change their temperature with the application of an electric field. The periodic excitation of these elements results in a temperature span across the device. By assuming heat exchange with the environment and a low thermal contact resistivity between the elements, we show that a device with 15 elements and an EC effect of 1.2 K achieves a temperature span between the hot and cold sides of the device equal to 12.6 K. Since the temperature span can be controlled by the number of elements in the device, the results suggest that in combination with the so-called "giant" EC effect (ΔTEC ≥ 10 K), a very large temperature span would be possible. The results of this work should motivate the development of efficient EC refrigeration systems based on a coupling of the EC and EM effects.
Spin-dependent quantum interference in photoemission process from spin-orbit coupled states
Yaji, Koichiro; Kuroda, Kenta; Toyohisa, Sogen; Harasawa, Ayumi; Ishida, Yukiaki; Watanabe, Shuntaro; Chen, Chuangtian; Kobayashi, Katsuyoshi; Komori, Fumio; Shin, Shik
2017-01-01
Spin–orbit interaction entangles the orbitals with the different spins. The spin–orbital-entangled states were discovered in surface states of topological insulators. However, the spin–orbital-entanglement is not specialized in the topological surface states. Here, we show the spin–orbital texture in a surface state of Bi(111) by laser-based spin- and angle-resolved photoelectron spectroscopy (laser-SARPES) and describe three-dimensional spin-rotation effect in photoemission resulting from spin-dependent quantum interference. Our model reveals that, in the spin–orbit-coupled systems, the spins pointing to the mutually opposite directions are independently locked to the orbital symmetries. Furthermore, direct detection of coherent spin phenomena by laser-SARPES enables us to clarify the phase of the dipole transition matrix element responsible for the spin direction in photoexcited states. These results permit the tuning of the spin polarization of optically excited electrons in solids with strong spin–orbit interaction. PMID:28232721
Spin-dependent quantum interference in photoemission process from spin-orbit coupled states.
Yaji, Koichiro; Kuroda, Kenta; Toyohisa, Sogen; Harasawa, Ayumi; Ishida, Yukiaki; Watanabe, Shuntaro; Chen, Chuangtian; Kobayashi, Katsuyoshi; Komori, Fumio; Shin, Shik
2017-02-24
Spin-orbit interaction entangles the orbitals with the different spins. The spin-orbital-entangled states were discovered in surface states of topological insulators. However, the spin-orbital-entanglement is not specialized in the topological surface states. Here, we show the spin-orbital texture in a surface state of Bi(111) by laser-based spin- and angle-resolved photoelectron spectroscopy (laser-SARPES) and describe three-dimensional spin-rotation effect in photoemission resulting from spin-dependent quantum interference. Our model reveals that, in the spin-orbit-coupled systems, the spins pointing to the mutually opposite directions are independently locked to the orbital symmetries. Furthermore, direct detection of coherent spin phenomena by laser-SARPES enables us to clarify the phase of the dipole transition matrix element responsible for the spin direction in photoexcited states. These results permit the tuning of the spin polarization of optically excited electrons in solids with strong spin-orbit interaction.
Strong decay widths and coupling constants of recent charm meson states
NASA Astrophysics Data System (ADS)
Batra, Meenakshi; Upadhayay, Alka
2015-07-01
Open charm hadrons with strange and non-strange mesons have been discovered in recent years. We study the spectra of several newly observed resonances by different collaborations like BaBar (del Amo Sanchez et al., Phys Rev D 82:111101, 2010) and LHCb (Aaij et al. [LHCb Collaboration], J High Energy Phys 1309:145, 2013) etc. Using an effective Lagrangian approach based on heavy quark symmetry and chiral dynamics, we explore the strong decay widths and branching ratios of various resonances and suggest their values. We try to fit the experimental data to find the coupling constants involved in the strong decays through pseudo-scalar mesons. The present work also discusses the possible spin-parity assignments of recently observed states by the LHCb Collaboration. The tentative assignment of the newly discovered state can be by natural parity states , while can be identified with unnatural parity states like . Therefore, the missing doublets 2 S, 2 D, 1 F, 2 P, and 3 S can be thought of as filled up with these states. We study the two-body strong decay widths and branching ratios of missing doublets and plot the branching ratios vs. the mass of the decaying particle. These plots are used to thoroughly analyze all assignments to and various possibilities for the values.
Fabrication of surface-channel charge-coupled devices with ultralow density of interface states
NASA Astrophysics Data System (ADS)
Saks, Nelson S.
1982-10-01
Surface-channel charge-coupled devices (CCD's) have been fabricated with ultralow density of (fast) interface states in the range 1-3×108/cm2 eV. This low interface state density is achieved by hydrogen implantation into the metal-nitride-oxide-silicon (MNOS) insulator structure of the CCD as the final fabrication step after aluminum interconnect metallization. The CCD's are shown to have excellent operating characteristics including high transfer efficiency (˜0.99995 without bias charge), low dark current (0.25-0.50 nA/cm2 at 20°C), and high signal charge capacity (1.55×1012 e/cm2 for 10-V clock swing).
NASA Astrophysics Data System (ADS)
Cohen, Guy Z.; Di Ventra, Massimiliano
2013-01-01
We study a system of two nanomechanical resonators embedded in a dc superconducting quantum interference device (SQUID). We show that the inductively coupled resonators can be treated as two entangled quantum memory elements with states that can be read from, or written on, by employing the SQUID as a displacement detector or switching additional external magnetic fields, respectively. We present a scheme to squeeze the even mode of the state of the resonators and, consequently, reduce the noise in the measurement of the magnetic flux threading the SQUID. We finally analyze the effect of dissipation on the squeezing using the quantum master equation, and show the qualitatively different behavior for the weak and strong damping regimes. Our predictions can be tested using current experimental capabilities.
Fleming, K.J.
1994-08-01
VISAR (Velocity Interferometer System for Any Reflector) is a specialized Doppler interferometer system that is gaining world-wide acceptance as the standard for shock phenomena analysis. The VISAR`s large power and cooling requirements, and the sensitive and complex nature of the interferometer cavity has restricted the traditional system to the laboratory. This paper describes the new portable VISAR, its peripheral sensors, and the role it played in optically measuring ground shock of an underground nuclear detonation (UGT). The Solid State VISAR uses a prototype diode pumped Nd:YAG laser and solid state detectors that provide a suitcase-size system with low power requirements. A special window and sensors was developed for fiber optic coupling (1 kilometer long) to the VISCAR. The system has proven itself as reliable, easy to use instrument that is capable of field test use and rapid data reduction using only a notebook personal computer (PC).
Fleming, K.J.; Crump, O.B.
1994-03-01
VISAR (Velocity Interferometer System for Any Reflector) is a specialized Doppler interferometer system that is gaining world-wide acceptance as the standard for shock phenomena analysis. The VISAR`s large power and cooling requirements, and the sensitive and complex nature of the interferometer cavity have restricted the traditional system to the laboratory. This paper describes the new portable VISAR, its peripheral sensors, and the role it played in optically measuring ground shock of an underground nuclear detonation. The solid State VISAR uses a prototype diode pumped ND:YAG laser and solid state detectors that provide a suitcase-size system with low power requirements. A special window and sensors were developed for fiber optic coupling (1 kilometer long) to the VISAR. The system has proven itself as a reliable, easy to use instrument that is capable of field test use and rapid data reduction using only a notebook personal computer (PC).
Fleming, K.J.; Crump, O.B.
1993-01-01
VISAR (Velocity Interferometer System for Any Reflector) is a specialized Doppler interferometer system that is gaining world-wide acceptance as the standard for shock phenomena analysis. The VISAR's large power and cooling requirements, and the sensitive and complex nature of the interferometer cavity has restricted the traditional system to the laboratory. This paper describes the new portable VISAR, its peripheral sensors, and the role it played in optically measuring ground shock of an underground nuclear detonation (UGT). The Solid State VISAR uses a prototype diode pumped ND:YAG laser and solid state detectors that provide a suitcase-size system with low power requirements. A special window and sensor was developed for fiber optic coupling (1 kilometer long) to the VISAR. The system has proven itself as a reliable, easy-to-use instrument that is capable of field test use and rapid data reduction employing only a personal computer (PC).
Goodfellow, Marc; Glendinning, Paul
2013-08-14
We investigate the dynamic mechanisms underlying intermittent state transitions in a recently proposed neural mass model of epilepsy. A low dimensional model is constructed, which preserves two key features of the neural mass model, namely (i) coupling between oscillators and (ii) heterogeneous proximity of these oscillators to a bifurcation between distinct limit cycles. We demonstrate that state transitions due to intermittency occur in the abstract model. This suggests that there is a general bifurcation mechanism responsible for this behaviour and that this is independent of the precise form of the evolution equations. Such abstractions of neural mass models allow a deeper insight into underlying dynamic and physiological mechanisms, and also allow the more efficient exploration of large scale brain dynamics in disease.
Exchange coupling and noncollinear magnetic states in Ni/Fen/Ni(1 0 0) multilayers
NASA Astrophysics Data System (ADS)
Malonda-Boungou, B. R.; Stojić, N.; Binggeli, N.; M'Passi-Mabiala, B.
2015-01-01
The Ni interlayer exchange coupling (IEC) and the atomic-scale magnetic configurations in fcc Ni /Fen /Ni (1 0 0) multilayers, with ultrathin Fe spacers, are investigated using first-principles density-functional theory including the noncollinear spin formalism. The trends with changing Fe thickness (n) between 3 and 5 monolayers (MLs) are examined. For n = 3 and 4 MLs, we find the ground state to display antiferromagnetic IEC between the Ni films, while for the 5-ML Fe spacer, the IEC changes into ferromagnetic. Upon reversal of the magnetization alignment, from antiparallel to parallel, between the Ni films with 3- and 4-ML thick Fe spacer, we find noncollinear magnetic configurations in the Fe layer as the lowest-energy states, which are related to the magnetic instability towards noncollinear solutions in bulk γ -Fe.
Steady-state substrate specificity and O₂-coupling efficiency of mouse cysteine dioxygenase.
Li, Wei; Pierce, Brad S
2015-01-01
Cysteine dioxygenase (CDO) is a non-heme mononuclear iron enzyme that catalyzes the oxygen-dependent oxidation of L-cysteine (Cys) to produce L-cysteine sulfinic acid (CSA). Sequence alignment of mammalian CDO with recently discovered thiol dioxygenase enzymes suggests that the mononuclear iron site within all enzymes in this class share a common 3-His first coordination sphere. This implies a similar mechanistic paradigm among thiol dioxygenase enzymes. Although steady-state studies were first reported for mammalian CDO over 45 years ago, detailed analysis of the specificity for alternative thiol-bearing substrates and their oxidative coupling efficiencies have not been reported for this enzyme. Assuming a similar mechanistic theme among this class of enzymes, characterization of the CDO substrate specificity may provide valuable insight into substrate-active site intermolecular during thiol oxidation. In this work, the substrate-specificity for wild-type Mus musculus CDO was investigated using NMR spectroscopy and LC-MS for a variety of thiol-bearing substrates. Tandem mass spectrometry was used to confirm dioxygenase activity for each non-native substrate investigated. Steady-state Michaelis-Menten parameters for sulfinic acid product formation and O₂-consumption were compared to establish the coupling efficiency for each reaction. In light of these results, the minimal substrate requirements for CDO catalysis and O₂-activation are discussed.
Lecrux, C; Hamel, E
2016-10-05
Brain imaging techniques that use vascular signals to map changes in neuronal activity, such as blood oxygenation level-dependent functional magnetic resonance imaging, rely on the spatial and temporal coupling between changes in neurophysiology and haemodynamics, known as 'neurovascular coupling (NVC)'. Accordingly, NVC responses, mapped by changes in brain haemodynamics, have been validated for different stimuli under physiological conditions. In the cerebral cortex, the networks of excitatory pyramidal cells and inhibitory interneurons generating the changes in neural activity and the key mediators that signal to the vascular unit have been identified for some incoming afferent pathways. The neural circuits recruited by whisker glutamatergic-, basal forebrain cholinergic- or locus coeruleus noradrenergic pathway stimulation were found to be highly specific and discriminative, particularly when comparing the two modulatory systems to the sensory response. However, it is largely unknown whether or not NVC is still reliable when brain states are altered or in disease conditions. This lack of knowledge is surprising since brain imaging is broadly used in humans and, ultimately, in conditions that deviate from baseline brain function. Using the whisker-to-barrel pathway as a model of NVC, we can interrogate the reliability of NVC under enhanced cholinergic or noradrenergic modulation of cortical circuits that alters brain states.This article is part of the themed issue 'Interpreting BOLD: a dialogue between cognitive and cellular neuroscience'.
Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalism.
Landau, Arie; Khistyaev, Kirill; Dolgikh, Stanislav; Krylov, Anna I
2010-01-07
The frozen natural orbital (FNO) approach, which has been successfully used in ground-state coupled-cluster calculations, is extended to open-shell ionized electronic states within equation-of-motion coupled-cluster (EOM-IP-CC) formalism. FNOs enable truncation of the virtual orbital space significantly reducing the computational cost with a negligible decline in accuracy. Implementation of the MP2-based FNO truncation scheme within EOM-IP-CC is presented and benchmarked using ionized states of beryllium, dihydrogen dimer, water, water dimer, nitrogen, and uracil dimer. The results show that the natural occupation threshold, i.e., percentage of the total natural occupation recovered in the truncated virtual orbital space, provides a more robust truncation criterion as compared to the fixed percentage of virtual orbitals retained. Employing 99%-99.5% natural occupation threshold, which results in the virtual space reduction by 70%-30%, yields errors below 1 kcal/mol. Moreover, the total energies exhibit linear dependence as a function of the percentage of the natural occupation retained allowing for extrapolation to the full virtual space values. The capabilities of the new method are demonstrated by the calculation of the 12 lowest vertical ionization energies (IEs) and the lowest adiabatic IE of guanine. In addition to IE calculations, we present the scans of potential energy surfaces (PESs) for ionized (H(2)O)(2) and (H(2))(2). The scans demonstrate that the FNO truncation does not introduce significant nonparallelity errors and accurately describes the PESs shapes and the corresponding energy differences, e.g., dissociation energies.
NASA Astrophysics Data System (ADS)
Yu, Xiaolin; Zhang, Shaoqing; Lin, Xiaopei; Li, Mingkui
2017-03-01
The uncertainties in values of coupled model parameters are an important source of model bias that causes model climate drift. The values can be calibrated by a parameter estimation procedure that projects observational information onto model parameters. The signal-to-noise ratio of error covariance between the model state and the parameter being estimated directly determines whether the parameter estimation succeeds or not. With a conceptual climate model that couples the stochastic atmosphere and slow-varying ocean, this study examines the sensitivity of state-parameter covariance on the accuracy of estimated model states in different model components of a coupled system. Due to the interaction of multiple timescales, the fast-varying atmosphere
with a chaotic nature is the major source of the inaccuracy of estimated state-parameter covariance. Thus, enhancing the estimation accuracy of atmospheric states is very important for the success of coupled model parameter estimation, especially for the parameters in the air-sea interaction processes. The impact of chaotic-to-periodic ratio in state variability on parameter estimation is also discussed. This simple model study provides a guideline when real observations are used to optimize model parameters in a coupled general circulation model for improving climate analysis and predictions.
Steady-State and Transient Boundary Element Methods for Coupled Heat Conduction
NASA Technical Reports Server (NTRS)
Kontinos, Dean A.
1997-01-01
Boundary element algorithms for the solution of steady-state and transient heat conduction are presented. The algorithms are designed for efficient coupling with computational fluid dynamic discretizations and feature piecewise linear elements with offset nodal points. The steady-state algorithm employs the fundamental solution approach; the integration kernels are computed analytically based on linear shape functions, linear elements, and variably offset nodal points. The analytic expressions for both singular and nonsingular integrands are presented. The transient algorithm employs the transient fundamental solution; the temporal integration is performed analytically and the nonsingular spatial integration is performed numerically using Gaussian quadrature. A series solution to the integration is derived for the instance of a singular integrand. The boundary-only character of the algorithm is maintained by integrating the influence coefficients from initial time. Numerical results are compared to analytical solutions to verify the current boundary element algorithms. The steady-state and transient algorithms are numerically shown to be second-order accurate in space and time, respectively.
NASA Astrophysics Data System (ADS)
Ferruzzo Correa, Diego Paolo; Wulff, Claudia; Piqueira, José Roberto Castilho
2015-05-01
In recent years there has been an increasing interest in studying time-delayed coupled networks of oscillators since these occur in many real life applications. In many cases symmetry patterns can emerge in these networks, as a consequence a part of the system might repeat itself, and properties of this subsystem are representative of the dynamics on the whole phase space. In this paper an analysis of the second order N-node time-delay fully connected network is presented which is based on previous work: synchronous states in time-delay coupled periodic oscillators: a stability criterion. Correa and Piqueira (2013), for a 2-node network. This study is carried out using symmetry groups. We show the existence of multiple eigenvalues forced by symmetry, as well as the existence of Hopf bifurcations. Three different models are used to analyze the network dynamics, namely, the full-phase, the phase, and the phase-difference model. We determine a finite set of frequencies ω , that might correspond to Hopf bifurcations in each case for critical values of the delay. The Sn map is used to actually find Hopf bifurcations along with numerical calculations using the Lambert W function. Numerical simulations are used in order to confirm the analytical results. Although we restrict attention to second order nodes, the results could be extended to higher order networks provided the time-delay in the connections between nodes remains equal.
NASA Technical Reports Server (NTRS)
Herbst, Eric; Winnewisser, G.; Yamada, K. M. T.; Defrees, D. J.; Mclean, A. D.
1989-01-01
A mechanism for the enhanced splitting detected in the millimeter-wave rotational spectra of the first excited S-S stretching state of HSSH (disulfane) has been studied. The mechanism, which involves a potential coupling between the first excited S-S stretching state and excited torsional states, has been investigated in part by the use of ab initio theory. Based on an ab initio potential surface, coupling matrix elements have been calculated, and the amount of splitting has then been estimated by second-order perturbation theory. The result, while not in quantitative agreement with the measured splitting, lends plausibility to the assumed mechanism.
Coupling Resistive Switching Devices with Neurons: State of the Art and Perspectives
Chiolerio, Alessandro; Chiappalone, Michela; Ariano, Paolo; Bocchini, Sergio
2017-01-01
Here we provide the state-of-the-art of bioelectronic interfacing between biological neuronal systems and artificial components, focusing the attention on the potentiality offered by intrinsically neuromorphic synthetic devices based on Resistive Switching (RS). Neuromorphic engineering is outside the scopes of this Perspective. Instead, our focus is on those materials and devices featuring genuine physical effects that could be sought as non-linearity, plasticity, excitation, and extinction which could be directly and more naturally coupled with living biological systems. In view of important applications, such as prosthetics and future life augmentation, a cybernetic parallelism is traced, between biological and artificial systems. We will discuss how such intrinsic features could reduce the complexity of conditioning networks for a more natural direct connection between biological and synthetic worlds. Putting together living systems with RS devices could represent a feasible though innovative perspective for the future of bionics. PMID:28261048
Brabec, Jiri; van Dam, Hubertus JJ; Pittner, Jiri; Kowalski, Karol
2012-03-28
The recently proposed Universal State-Selective (USS) corrections [K. Kowalski, J. Chem. Phys. 134, 194107 (2011)] to approximate Multi-Reference Coupled Cluster (MRCC) energies can be commonly applied to any type of MRCC theory based on the Jeziorski-Monkhorst [B. Jeziorski, H.J. Monkhorst, Phys. Rev. A 24, 1668 (1981)] exponential Ansatz. In this letter we report on the performance of a simple USS correction to the Brillouin-Wigner MRCC (BW-MRCC) formalism employing single and double excitations (BW-MRCCSD). It is shown that the resulting formalism (USS-BW-MRCCSD), which uses the manifold of single and double excitations to construct the correction, can be related to a posteriori corrections utilized in routine BW-MRCCSD calculations. In several benchmark calculations we compare the results of the USS-BW-MRCCSD method with results of the BW-MRCCSD approach employing a posteriori corrections and with results obtained with the Full Configuration Interaction (FCI) method.
Ghose, K.B.; Adamowicz, L.
1995-12-01
The present work represents the first attempt to utilize the idea of recursively generated intermediates (RGI) in the framework of the state-selective multi-reference coupled-cluster method truncated at triple excitations [SS CCSD(T)]. The expressions for stepwise generation of intermediates are so structured that the spin and point symmetry simplifications can be easily applied during computation. Suitable modifications in SS CCSD(T) equations are introduced to allow for optional quasilinearization of nonlinear terms in difficult convergence situations. The computational code is, as expected, much faster than the SS CCSD(T) code without RGI adaptation. This has been numerically demonstrated by potential energy surface (PES) calculation of the HF molecule using a double zeta basis. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.
Spin- and valley-coupled electronic states in monolayer WSe{sub 2} on bilayer graphene
Sugawara, K.; Souma, S.; Sato, T.; Tanaka, Y.; Takahashi, T.
2015-08-17
We have fabricated a high-quality monolayer WSe{sub 2} film on bilayer graphene by epitaxial growth and revealed the electronic states by spin- and angle-resolved photoemission spectroscopy. We observed a direct energy gap at the Brillouin-zone corner in contrast to the indirect nature of gap in bulk WSe{sub 2}, which is attributed to the lack of interlayer interaction and the breaking of space-inversion symmetry in monolayer film. A giant spin splitting of ∼0.5 eV, which is the largest among known monolayer transition-metal dichalcogenides, is observed in the energy band around the zone corner. The present results suggest a high potential applicability of WSe{sub 2} to develop advanced devices based with the coupling of spin- and valley-degrees of freedom.
NASA Astrophysics Data System (ADS)
Voityuk, Alexander A.
2006-02-01
Comparison of donor-acceptor electronic couplings calculated within two-state and three-state models suggests that the two-state treatment can provide unreliable estimates of Vda because of neglecting the multistate effects. We show that in most cases accurate values of the electronic coupling in a π stack, where donor and acceptor are separated by a bridging unit, can be obtained as Ṽda=(E2-E1)μ12/Rda+(2E3-E1-E2)2μ13μ23/Rda2, where E1, E2, and E3 are adiabatic energies of the ground, charge-transfer, and bridge states, respectively, μij is the transition dipole moments between the states i and j, and Rda is the distance between the planes of donor and acceptor. In this expression based on the generalized Mulliken-Hush approach, the first term corresponds to the coupling derived within a two-state model, whereas the second term is the superexchange correction accounting for the bridge effect. The formula is extended to bridges consisting of several subunits. The influence of the donor-acceptor energy mismatch on the excess charge distribution, adiabatic dipole and transition moments, and electronic couplings is examined. A diagnostic is developed to determine whether the two-state approach can be applied. Based on numerical results, we showed that the superexchange correction considerably improves estimates of the donor-acceptor coupling derived within a two-state approach. In most cases when the two-state scheme fails, the formula gives reliable results which are in good agreement (within 5%) with the data of the three-state generalized Mulliken-Hush model.
Bound states of the spin-orbit coupled ultracold atom in a one-dimensional short-range potential
Jursenas, Rytis; Ruseckas, Julius
2013-05-15
We solve the bound state problem for the Hamiltonian with the spin-orbit and the Raman coupling included. The Hamiltonian is perturbed by a one-dimensional short-range potential V which describes the impurity scattering. In addition to the bound states obtained by considering weak solutions through the Fourier transform or by solving the eigenvalue equation on a suitable domain directly, it is shown that ordinary point-interaction representations of V lead to spin-orbit induced extra states.
Han, Xue; Hu, Shi; Guo, Qi; Wang, Hong-Fu; Zhu, Ai-Dong; Zhang, Shou
2015-01-01
We propose effective fusion schemes for stationary electronic W state and flying photonic W state, respectively, by using the quantum-dot-microcavity coupled system. The present schemes can fuse a n-qubit W state and a m-qubit W state to a (m + n − 1)-qubit W state, that is, these schemes can be used to not only create large W state with small ones, but also to prepare 3-qubit W states with Bell states. The schemes are based on the optical selection rules and the transmission and reflection rules of the cavity and can be achieved with high probability. We evaluate the effect of experimental imperfections and the feasibility of the schemes, which shows that the present schemes can be realized with high fidelity in both the weak coupling and the strong coupling regimes. These schemes may be meaningful for the large-scale solid-state-based quantum computation and the photon-qubit-based quantum communication. PMID:26242356
NASA Astrophysics Data System (ADS)
Sharma, Sandeep; Alavi, Ali
2015-09-01
We propose a multireference linearized coupled cluster theory using matrix product states (MPSs-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration interaction singles and doubles, for a wide variety of electronic Hamiltonians. These range from first-row dimers at equilibrium and stretched geometries to highly multireference systems such as the chromium dimer and lattice models such as periodic two-dimensional 1-band and 3-band Hubbard models. The MPS-LCC theory shows a speed up of several orders of magnitude over the usual Density Matrix Renormalization Group (DMRG) algorithm while delivering energies in excellent agreement with converged DMRG calculations. Also, in all the benchmark calculations presented here, MPS-LCC outperformed the commonly used multi-reference quantum chemistry methods in some cases giving energies in excess of an order of magnitude more accurate. As a size-extensive method that can treat large active spaces, MPS-LCC opens up the use of multireference quantum chemical techniques in strongly correlated ab initio Hamiltonians, including two- and three-dimensional solids.
Equation of state of metallic hydrogen from coupled electron-ion Monte Carlo simulations.
Morales, Miguel A; Pierleoni, Carlo; Ceperley, D M
2010-02-01
We present a study of hydrogen at pressures higher than molecular dissociation using the coupled electron-ion Monte Carlo method. These calculations use the accurate reptation quantum Monte Carlo method to estimate the electronic energy and pressure while doing a Monte Carlo simulation of the protons. In addition to presenting simulation results for the equation of state over a large region of the phase diagram, we report the free energy obtained by thermodynamic integration. We find very good agreement with density-functional theory based molecular-dynamics calculations for pressures beyond 600 GPa and densities above rho=1.4 g/cm(3) , both for thermodynamic and structural properties. This agreement provides a strong support to the different approximations employed in the density-functional treatment of the system, specifically the approximate exchange-correlation potential and the use of pseudopotentials for the range of densities considered. We find disagreement with chemical models, which suggests that a reinvestigation of planetary models--previously constructed using the Saumon-Chabrier-Van Horn equations of state--might be needed.
Sharma, Sandeep; Alavi, Ali
2015-09-14
We propose a multireference linearized coupled cluster theory using matrix product states (MPSs-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration interaction singles and doubles, for a wide variety of electronic Hamiltonians. These range from first-row dimers at equilibrium and stretched geometries to highly multireference systems such as the chromium dimer and lattice models such as periodic two-dimensional 1-band and 3-band Hubbard models. The MPS-LCC theory shows a speed up of several orders of magnitude over the usual Density Matrix Renormalization Group (DMRG) algorithm while delivering energies in excellent agreement with converged DMRG calculations. Also, in all the benchmark calculations presented here, MPS-LCC outperformed the commonly used multi-reference quantum chemistry methods in some cases giving energies in excess of an order of magnitude more accurate. As a size-extensive method that can treat large active spaces, MPS-LCC opens up the use of multireference quantum chemical techniques in strongly correlated ab initio Hamiltonians, including two- and three-dimensional solids.
NASA Astrophysics Data System (ADS)
Struzhkin, Viktor V.; Chen, Xiao-Jia
2016-10-01
The mechanism of high-temperature superconductivity of copper oxides (cuprates) remains unsolved puzzle in condensed matter physics. The cuprates represent extremely complicated system, showing fascinating variety of quantum phenomena and rich phase diagram as a function of doping. In the suggested "superconducting glue" mechanisms, phonon and spin excitations are invoked most frequently, and it appears that only spin excitations cover the energy scale required to justify very high transition temperature Tc ˜ 165 K (as in mercury-based triple layer cuprates compressed to 30 GPa). It appears that pressure is quite important variable helping to boost the Tc record by almost 30°. Pressure may be also considered as a clean tuning parameter, helping to understand the underlying balance of various energy scales and ordered states in cuprates. In this paper, a review of mostly our work on cuprates under pressure will be given, with the emphasis on the interactions between phonon and spin excitations. It appears that there is a strong coupling between superexchange interaction and stretching in-plane oxygen vibrations, which may give rise to a variety of complex phenomena, including the charge-density wave state intertwined with superconductivity and attracting a lot of interest recently.
Determination of the hyperfine coupling constant of the cesium 7S1/2 state
NASA Astrophysics Data System (ADS)
Yang, Guang; Wang, Jie; Yang, Baodong; Wang, Junmin
2016-08-01
We report the hyperfine splitting (HFS) measurement of the cesium (Cs) 7S1/2 state by optical-optical double-resonance spectroscopy with the Cs 6S1/2-6P3/2-7S1/2 (852 nm + 1470 nm) ladder-type system. The HFS frequency calibration is performed by employing a phase-type waveguide electro-optic modulator together with a stable confocal Fabry-Perot cavity. From the measured HFS between the F″ = 3 and F″ = 4 manifolds of the Cs 7S1/2 state (HFS = 2183.273 ± 0.062 MHz), we have determined the magnetic dipole hyperfine coupling constant (A = 545.818 ± 0.016 MHz), which is in good agreement with the previous work but much more precise.
NASA Astrophysics Data System (ADS)
Fu, Han-Kuei; Peng, Yi-Ping; Wang, Chien-Ping; Chiang, Hsin-Chien; Chen, Tzung-Te; Chen, Chiu-Ling; Chou, Pei-Ting
2013-09-01
For energy-saving, high efficiency and low pollution, the lighting of LED systems is important for the future of green energy technology industry. The solid state lighting becomes the replacement of traditional lighting, such as, light bulbs and compact fluorescent lamps. Because of the semiconductor characteristics, the luminous efficiency of LEDs is sensitive to the operating temperature. Besides increasing the luminous efficiency, effective controlling electricity and thermal characteristics in the design of LED lighting products is the key point to achieve the best results. LED modules can be combined with multi-grain process or through a combination of multiple LED chips. Accurate analysis of this LED module for the electrical, thermal characteristics and high reliability is the critical knowledge of modular design. In this report, we studied the electrical and thermal coupling phenomenon in solid state lighting systems to analyze their reliability. By experiments and simulations, we obtained the apparent variation of temperature distribution of LED system due to differences of their forward voltages and thermal resistances. These events may reduce their reliability. Besides, the evaluation of optical and chromatic properties was based on the variation of temperature distribution and current of LED system. This is the key technology to predict the optical and chromatic properties of LED system in use.
FOXO1 couples metabolic activity and growth state in the vascular endothelium
Wilhelm, Kerstin; Happel, Katharina; Eelen, Guy; Schoors, Sandra; Oellerich, Mark F.; Lim, Radiance; Zimmermann, Barbara; Aspalter, Irene M.; Franco, Claudio A.; Boettger, Thomas; Braun, Thomas; Fruttiger, Marcus; Rajewsky, Klaus; Keller, Charles; Brüning, Jens C.; Gerhardt, Holger; Carmeliet, Peter; Potente, Michael
2015-01-01
Endothelial cells (ECs) are plastic cells that can switch between growth states with different bioenergetic and biosynthetic requirements1. Although quiescent in most healthy tissues, ECs divide and migrate rapidly upon proangiogenic stimulation2,3. Adjusting endothelial metabolism to growth state is central to normal vessel growth and function1,4, yet poorly understood at the molecular level. Here we report that the forkhead box O (FOXO) transcription factor FOXO1 is an essential regulator of vascular growth that couples metabolic and proliferative activities in ECs. Endothelial-restricted deletion of FOXO1 in mice induces a profound increase in EC proliferation that interferes with coordinated sprouting, thereby causing hyperplasia and vessel enlargement. Conversely, forced expression of FOXO1 restricts vascular expansion and leads to vessel thinning and hypobranching. We find that FOXO1 acts as a gatekeeper of endothelial quiescence, which decelerates metabolic activity by reducing glycolysis and mitochondrial respiration. Mechanistically, FOXO1 suppresses signalling by c-MYC (termed MYC hereafter), a powerful driver of anabolic metabolism and growth5,6. MYC ablation impairs glycolysis, mitochondrial function and proliferation of ECs while its EC-specific overexpression fuels these processes. Moreover, restoration of MYC signalling in FOXO1-overexpressing endothelium normalises metabolic activity and branching behaviour. Our findings identify FOXO1 as a critical rheostat of vascular expansion and define the FOXO1 – MYC transcriptional network as a novel metabolic checkpoint during endothelial growth and proliferation. PMID:26735015
Tunable spin-orbit coupling and symmetry-protected edge states in graphene/WS2
NASA Astrophysics Data System (ADS)
Yang, Bowen; Tu, Min-Feng; Kim, Jeongwoo; Wu, Yong; Wang, Hui; Alicea, Jason; Wu, Ruqian; Bockrath, Marc; Shi, Jing
2016-09-01
We demonstrate clear weak anti-localization (WAL) effect arising from induced Rashba spin-orbit coupling (SOC) in WS2-covered single-layer and bilayer graphene devices. Contrary to the uncovered region of a shared single-layer graphene flake, WAL in WS2-covered graphene occurs over a wide range of carrier densities on both electron and hole sides. At high carrier densities, we estimate the Rashba SOC relaxation rate to be ˜ 0.2 {{ps}}-1 and show that it can be tuned by transverse electric fields. In addition to the Rashba SOC, we also predict the existence of a‘valley-Zeeman’ SOC from first-principles calculations. The interplay between these two SOC’s can open a non-topological but interesting gap in graphene; in particular, zigzag boundaries host four sub-gap edge states protected by time-reversal and crystalline symmetries. The graphene/WS2 system provides a possible platform for these novel edge states.
Interacting residues in an activated state of a G protein-coupled receptor.
Lee, Yong-Hun; Naider, Fred; Becker, Jeffrey M
2006-01-27
Ste2p, the G protein-coupled receptor (GPCR) for the tridecapeptide pheromone alpha-factor of Saccharomyces cerevisiae, was used as a model GPCR to investigate the role of specific residues in the resting and activated states of the receptor. Using a series of biological and biochemical analyses of wild-type and site-directed mutant receptors, we identified Asn(205) as a potential interacting partner with the Tyr(266) residue. An N205H/Y266H double mutant showed pH-dependent functional activity, whereas the N205H receptor was non-functional and the Y266H receptor was partially active indicating that the histidine 205 and 266 residues interact in an activated state of the receptor. The introduction of N205K or Y266D mutations into the P258L/S259L constitutively active receptor suppressed the constitutive activity; in contrast, the N205K/Y266D/P258L/S259L quadruple mutant was fully constitutively active, again indicating an interaction between residues at the 205 and 206 positions in the receptor-active state. To further test this interaction, we introduced the N205C/Y266C, F204C/Y266C, and N205C/A265C double mutations into wild-type and P258L/S259L constitutively active receptors. After trypsin digestion, we found that a disulfide-cross-linked product, with the molecular weight expected for a receptor fragment with a cross-link between N205C and Y266C, formed only in the N205C/Y266C constitutively activated receptor. This study represents the first experimental demonstration of an interaction between specific residues in an active state, but not the resting state, of Ste2p. The information gained from this study should contribute to an understanding of the conformational differences between resting and active states in GPCRs.
NASA Astrophysics Data System (ADS)
Fletcher, R. C.; Buss, H. L.; Brantley, S. L.
2006-04-01
Spheroidal weathering, a common mechanism that initiates the transformation of bedrock to saprolite, creates concentric fractures demarcating relatively unaltered corestones and progressively more altered rindlets. In the spheroidally weathering Rio Blanco quartz diorite (Puerto Rico), diffusion of oxygen into corestones initiates oxidation of ferrous minerals and precipitation of ferric oxides. A positive Δ V of reaction results in the build-up of elastic strain energy in the rock. Formation of each fracture is postulated to occur when the strain energy in a layer equals the fracture surface energy. The rate of spheroidal weathering is thus a function of the concentration of reactants, the reaction rate, the rate of transport, and the mechanical properties of the rock. Substitution of reasonable values for the parameters involved in the model produces results consistent with the observed thickness of rindlets in the Rio Icacos bedrock (≈ 2-3 cm) and a time interval between fractures (≈ 200-300 a) based on an assumption of steady-state denudation at the measured rate of 0.01 cm/a. Averaged over times longer than this interval, the rate of advance of the bedrock-saprolite interface during spheroidal weathering (the weathering advance rate) is constant with time. Assuming that the oxygen concentration at the bedrock-saprolite interface varies with the thickness of soil/saprolite yields predictive equations for how weathering advance rate and steady-state saprolite/soil thickness depend upon atmospheric oxygen levels and upon denudation rate. The denudation and weathering advance rates at steady state are therefore related through a condition on the concentration of porewater oxygen at the base of the saprolite. In our model for spheroidal weathering of the Rio Blanco quartz diorite, fractures occur every ˜ 250 yr, ferric oxide is fully depleted over a four rindlet set in ˜ 1000 yr, and saprolitization is completed in ˜ 5000 yr in the zone containing ˜ 20
NASA Astrophysics Data System (ADS)
He, Wan-Quan; Gao, Ri-Li; Zhang, Pei; Bi, Xiong-Wei; Pan, Qing-Shan; Xu, Shi-Juan
2015-03-01
Spin-orbit coupled Bosonic atoms confined in external potentials open up new avenues for quantum-state manipulation and will contribute to the design and exploration of novel quantum devices. Here we consider a quasi-two-dimensional spin-orbit coupled Bose-Einstein condensate confined in an external harmonic potential, with emphasis on the effects of anisotropic spin-orbit coupling on the equilibrium ground-state structure of such a system. For the cases with spin-orbit coupling solely in x- or y-axis direction, the ground-state structure can develop to the well-known standing wave phase, in which the two components always form an alternative density arrangement. For a two-dimensional anisotropic spin-orbit coupling, the separated lumps first become bend, then form two rows of stripe structure along y direction with further increasing the strength of spin-orbit coupling in x-direction. Furthermore, the distance between these two rows of stripe structure is also investigated in detail. Supported by National Natural Science Foundation of China under Grant No. 61361002, the Applied Fundamental Research Projects of Yunnan Province under Grant No. 2013FZ121
Newton, M.D.; Vura-Weis, J.; Wasielewski, M.R.; Subotnik, J.E.
2010-10-19
A common strategy to calculate electronic coupling matrix elements for charge or energy transfer is to take the adiabatic states generated by electronic structure computations and rotate them to form localized diabatic states. In this paper, we show that, for intermolecular transfer of singlet electronic excitation, usually we cannot fully localize the electronic excitations in this way. Instead, we calculate putative initial and final states with small excitation tails caused by weak interactions with high energy excited states in the electronic manifold. These tails do not lead to substantial changes in the total diabatic coupling between states, but they do lead to a different partitioning of the total coupling between Coulomb (Forster), exchange (Dexter), and one-electron components. The tails may be reduced by using a multistate diabatic model or eliminated entirely by truncation (denoted as 'chopping'). Without more information, we are unable to conclude with certainty whether the observed diabatic tails are a physical reality or a computational artifact. This research suggests that decomposition of the diabatic coupling between chromophores into Coulomb, exchange, and one-electron components may depend strongly on the number of states considered, and such results should be treated with caution.
Kawakami, R.K.; Escorcia-Aparicio, E.J.; Choi, H.J.; Wolfe, J.H.; Qiu, Z.Q.; Rotenberg, E.; Smith, N.V.
1999-05-01
The relation between the quantum well (QW) states and the oscillatory magnetic coupling in Co/Cu/Co grown on Cu(100) was investigated by angle resolved photoemission spectroscopy, magnetic x-ray linear dichroism, and the surface magneto-optic Kerr effect. The QW states were explained quantitatively using the phase accumulation model, and the derived QW phases at the Cu/Co interface were used to calculate the interlayer coupling. The agreement between this calculation and the experimental result reveals that the phase relation between the long- and short-period couplings is determined by the phase relation of the QW states in k space. {copyright} {ital 1999} {ital The American Physical Society}
NASA Astrophysics Data System (ADS)
Su-Xin, Wang; Yu-Xian, Li; Jian-Jun, Liu
2016-03-01
Andreev reflection (AR) in a normal-metal/quantum-dot/superconductor (N-QD-S) system with coupled Majorana bound states (MBSs) is investigated theoretically. We find that in the N-QD-S system, the AR can be enhanced when coupling to the MBSs is incorporated. Fano line-shapes can be observed in the AR conductance spectrum when there is an appropriate QD-MBS coupling or MBS-MBS coupling. The AR conductance is always e2/2h at the zero Fermi energy point when only QD-MBSs coupling is considered. In addition, the resonant AR occurs when the MBS-MBS coupling roughly equals to the QD energy level. We also find that an AR antiresonance appears when the QD energy level approximately equals to the sum of the QD-MBS coupling and the MBS-MBS coupling. These features may serve as characteristic signatures for the probe of MBSs. Project supported by the National Natural Science Foundation of China (Grant Nos. 61176089 and 10974043), the Natural Science Foundation of Hebei Province, China (Grant Nos. A2011205092 and 2014205005), and the Fund for Hebei Normal University for Nationalities, China (Grant No. 201109).
NASA Astrophysics Data System (ADS)
Chakrabarti, R.; Jenisha, B. Virgin
2015-10-01
We study the evolution of bipartite entangled quasi-Bell states in a strongly coupled qubit-oscillator system in the presence of a static bias, and extend it to the ultra-strong coupling regime. Using the adiabatic approximation the reduced density matrix of the qubit is obtained for the strong coupling domain in closed form that involves linear combinations of the Jacobi theta functions. The reduced density matrix of the oscillator yields the phase space Husimi Q-distribution. In the strong coupling regime the Q-function evolves to uniformly separated macroscopically distinct Gaussian peaks representing 'kitten' states at certain specified times that depend on multiple time scales present in the interacting system. For the ultra-strong coupling realm the delocalization in the phase space of the oscillator is studied by using the Wehrl entropy and the complexity of the quantum state. For a small phase space amplitude the entangled quasi-Bell state develops, during its time evolution, squeezing property and nonclassicality of the photon statistics which are measured by the quadrature variance and the Mandel parameter, respectively.
NASA Astrophysics Data System (ADS)
Ramachandhran, B.; Opanchuk, Bogdan; Liu, Xia-Ji; Pu, Han; Hu, Hui
2012-02-01
We investigate theoretically the condensate state and collective excitations of a spin-orbit coupled spinor Bose gas in two-dimensional harmonic traps. In the weakly interacting regime, when the inter-species interaction is larger than the intra-species interaction (g> g), we find that the condensate state has a half-quantum-angular-momentum vortex configuration (half-vortex state) with spatial rotational symmetry and skyrmion-type spin texture. We investigate the stability of half-vortex state in the regime when g is greater than a threshold gc, and in the regime when g< g, by solving the Bogoliubov equations for collective density oscillations. In addition, we also investigate the dynamical properties of the half-vortex state. We present the phase diagram as a function of interatomic interaction and spin-orbit coupling.
On transition strengths of E1, E2, & E3 in the regions of mixed quadrupole-octupole collectivity
NASA Astrophysics Data System (ADS)
Rasmussen, John; Luo, Y. X.; Hamilton, Joseph; Ramayya, A. V.; Donangelo, Raul
2010-11-01
We review the main highlights of experiment and theory for the lowest three electric multipolarities, B(E1), B(E2), and B(E3), for nuclei where quadrupole and octupole collectivity may both occur. The principal regions of interest are around 6 to 12 protons and 6 to 12 neutrons beyond the doubly-closed shell nuclei ^132Sn and ^208Pb. We examine microscopic theoretical calculationsootnotetextW. Zhang et al., Phys. Rev. C 81, 034302 (2010) and references therein. in which deformations are driven by Nilsson orbitals near the Fermi energy. We also focus attention on recent experimentalootnotetextP.E. Garrett et al., Phys. Rev. Letts. 103, 062501 (2009) studies of ^152Sm, where the ground band and associated K=1^- band are mirrored by another 0^+ and 1^- band about 0.7 MeV higher in energy. We suggest that a monopole pairing force alone is insufficient to cause this mirroring, and monopole-plus-quadrupole pairing or a more realistic nucleon-nucleon force is needed.
NASA Astrophysics Data System (ADS)
Newell, P. T.; Sotirelis, T.; Liou, K.; Meng, C. I.; Rich, F. J.
2006-12-01
We investigated whether one or a few coupling functions can represent best the interaction between the solar wind and the magnetosphere. Ten characterizations of the magnetosphere five from ground-based magnetometers, including Dst, Kp, AE, AU, and AL, and five from other sources, including auroral power (Polar UVI), cusp latitude and b2i (both DMSP), geosynchronous magnetic inclination angle (GOES), and polar cap size (SuperDARN) were correlated with more than 20 candidate solar wind coupling functions. A single coupling function, representing the rate magnetic flux is opened at the magnetopause, correlated best with 9 out of 10 indices of magnetospheric condition. This is dFMP/dt = v4/3BT2/3sin8/3(tc/2), calculated from (rate IMF field lines approach the magnetopause, v)(percent of IMF lines which merge, sin8/3(tc/2))(magnitude of magnetopause field, Bmp, v)(merging line length, (BT/Bmp)2/3). The merging line length is based on flux matching between the solar wind and a dipole field, and agrees with a superposed IMF on a vacuum dipole. The IMF clock angle dependence matches the merging rate reported at high altitude. The non-linearities of the magnetospheric response to BT and v are evident when the mean values of indices are plotted, as well as in the superior correlations from dFMP/dt. A wide variety of magnetospheric phenomena can ths be accurately predicted ab initio by just a single function, estimating the rate magnetic flux is opened on the dayside magnetopause. Across all state variables studied dFMP/dt accounts for about 57.2 percent of the variance, compared to 50.9 for EKL, and 48.8 for vBs. All data sets included thousands of points over many years, up to two solar cycles. The sole index which does not correlate best with dFMP/dt is Dst, which correlates best (r=0.87) with p1/2dFMP/dt. If dFMP/dt were credited with this success, its average score would be even higher.
Ab initio MRCI+Q study on low-lying states of CS including spin-orbit coupling.
Li, Rui; Wei, Changli; Sun, Qixiang; Sun, Erping; Xu, Haifeng; Yan, Bing
2013-03-21
Carbon monosulfide (CS), which plays an important role in a variety of research fields, has long received considerable interest. Due to its transient nature and large state density, the electronic states of CS have not been well understood, especially the interactions between different states. In this paper, we performed a detail ab initio study on the low-lying electronic states of CS by means of the internally contracted multireference configuration interaction method (including Davidson correction) with scalar relativistic correction using the Douglas-Kroll-Hess Hamiltonian. We focused on the spin-orbit coupling of the states via the state interaction method with the full Breit-Pauli Hamiltonian. The potential energy curves (PECs) of 18 Λ-S states correlated with the lowest dissociation limit of the CS molecule were calculated, as well as those of 50 Ω states generated from the Λ-S states. The spectroscopic constants of the bound states were obtained, which are in good agreement with previous available experimental and theoretical results. The state perturbations of the a(3)Π and A(1)Π states with other low-lying electronic states are discussed in detail, based on the calculated spin-orbit matrix as well as the PECs of the Ω states. Avoided crossing in the states of CS was indicated when spin-orbit coupling was taken into account. Finally, the allowed transition dipole moments as well as the lifetimes of the five lowest vibrational states of the A(1)Π1, A'(1)Σ(+)0(+) and a(3)Πi states were obtained.
NASA Astrophysics Data System (ADS)
Newell, P. T.; Sotirelis, T.; Liou, K.; Meng, C.-I.; Rich, F. J.
2007-01-01
We investigated whether one or a few coupling functions can represent best the interaction between the solar wind and the magnetosphere over a wide variety of magnetospheric activity. Ten variables which characterize the state of the magnetosphere were studied. Five indices from ground-based magnetometers were selected, namely Dst, Kp, AE, AU, and AL, and five from other sources, namely auroral power (Polar UVI), cusp latitude (sin(Λc)), b2i (both DMSP), geosynchronous magnetic inclination angle (GOES), and polar cap size (SuperDARN). These indices were correlated with more than 20 candidate solar wind coupling functions. One function, representing the rate magnetic flux is opened at the magnetopause, correlated best with 9 out of 10 indices of magnetospheric activity. This is dΦMP/dt = v4/3BT2/3sin8/3(θc/2), calculated from (rate IMF field lines approach the magnetopause, ˜v)(% of IMF lines which merge, sin8/3(θc/2))(interplanetary field magnitude, BT)(merging line length, ˜(BMP/BT)1/3). The merging line length is based on flux matching between the solar wind and a dipole field and agrees with a superposed IMF on a vacuum dipole. The IMF clock angle dependence matches the merging rate reported (albeit with limited statistics) at high altitude. The nonlinearities of the magnetospheric response to BT and v are evident when the mean values of indices are plotted, in scatterplots, and in the superior correlations from dΦMP/dt. Our results show that a wide variety of magnetospheric phenomena can be predicted with reasonable accuracy (r > 0.80 in several cases) ab initio, that is without the time history of the target index, by a single function, estimating the dayside merging rate. Across all state variables studied (including AL, which is hard to predict, and polar cap size, which is hard to measure), dΦMP/dt accounts for about 57.2% of the variance, compared to 50.9% for EKL and 48.8% for vBs. All data sets included at least thousands of points over many
NASA Astrophysics Data System (ADS)
Zarycz, M. Natalia C.; Provasi, Patricio F.; Sauer, Stephan P. A.
2015-12-01
It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH4, NH3, H2O, SiH4, PH3, SH2, C2H2, C2H4, and C2H6. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.
Zarycz, M. Natalia C. Provasi, Patricio F.; Sauer, Stephan P. A.
2015-12-28
It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH{sub 4}, NH{sub 3}, H{sub 2}O, SiH{sub 4}, PH{sub 3}, SH{sub 2}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.
Zarycz, M Natalia C; Provasi, Patricio F; Sauer, Stephan P A
2015-12-28
It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH4, NH3, H2O, SiH4, PH3, SH2, C2H2, C2H4, and C2H6. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.
NASA Astrophysics Data System (ADS)
Huo, Dong-Ming
2016-07-01
Using the Green's function technique, we respectively investigate the electron transport properties of two spin components through the system of a T-shaped double quantum dot structure coupled to a Majorana bound state, in which only one quantum dot is connected with two metallic leads. We explore the interplay between the Fano effect and the MBSs for different dot-MBS coupling strength λ, dot-dot coupling strength t, and MBS-MBS coupling strength ɛM in the noninteracting case. Then the Coulomb interaction and magnetic field effect on the conductance spectra are investigated. Our results indicate that G↓(ω) is not affected by the Majorana bound states, but a "0.5" conductance signature occurs in the vicinities of Fermi level of G↑(ω). This robust property persists for a wide range of dot-dot coupling strength and dot-MBS coupling strength, but it can be destroyed by Coulomb interaction in quantum dots. By adjusting the size and direction of magnetic field around the quantum dots, the "0.5" conductance signature damaged by U can be restored. At last, the spin magnetic moments of two dots by applying external magnetic field are also predicted.
Coupled interactions between volatile activity and Fe oxidation state during arc crustal processes
Humphreys, Madeleine C.S.; Brooker, R; Fraser, D.C.; Burgisser, A; Mangan, Margaret T.; McCammon, C
2015-01-01
Arc magmas erupted at the Earth’s surface are commonly more oxidized than those produced at mid-ocean ridges. Possible explanations for this high oxidation state are that the transfer of fluids during the subduction process results in direct oxidation of the sub-arc mantle wedge, or that oxidation is caused by the effect of later crustal processes, including protracted fractionation and degassing of volatile-rich magmas. This study sets out to investigate the effect of disequilibrium crustal processes that may involve coupled changes in H2O content and Fe oxidation state, by examining the degassing and hydration of sulphur-free rhyolites. We show that experimentally hydrated melts record strong increases in Fe3+/∑Fe with increasing H2O concentration as a result of changes in water activity. This is relevant for the passage of H2O-undersaturated melts from the deep crust towards shallow crustal storage regions, and raises the possibility that vertical variations in fO2 might develop within arc crust. Conversely, degassing experiments produce an increase in Fe3+/∑Fe with decreasing H2O concentration. In this case the oxidation is explained by loss of H2 as well as H2O into bubbles during decompression, consistent with thermodynamic modelling, and is relevant for magmas undergoing shallow degassing en route to the surface. We discuss these results in the context of the possible controls on fO2 during the generation, storage and ascent of magmas in arc settings, in particular considering the timescales of equilibration relative to observation as this affects the quality of the petrological record of magmatic fO2.
Jahn-Teller coupling and magnetic ground state in vanadium spinels^1
NASA Astrophysics Data System (ADS)
Chern, Gia-Wei; Tchernyshyov, Oleg
2008-03-01
The interplay of orbital, lattice, and spin degrees of freedom in vanadium spinels has attracted much interest among researchers. The V^3+ ion has two electrons occupying three degenerate t2g orbitals and is thus Jahn-Teller active. It also has a total spin S=1 in accordance with Hund's rules. Moreover, the V^3+ ions sitting on the B-site of spinel form a pyrochlore lattice, the interactions between these localized spin and orbital degrees of freedom are thus geometrically frustrated [1]. Here we present a theoretical model for the ground states of vanadium spinels. We view all of the vanadates (Cd, Zn, Mg on the one hand and Mn on the other) within the same model in which the influence of Mn is simulated by a magnetic field. In the case of MnV2O4, our calculation yields a ground state with antiferro-orbital ordering accompanied by a tetragonal structural distortion with lattice constants a=b>c. In addition, the V spins develop an orthogonal antiferromagnetic order in the ab plane on top of a ferromagnetic moment along the c axis. The results are consistent with a recent experimental characterization of MnV2O4 [2]. In particular, we will discuss the important role played by cooperative Jahn-Teller interaction and spin-orbital coupling in stabilizing the orthogonal spin configuration. [1] O. Tchernyshyov, Phys. Rev. Lett., 93, 157206 (2004). [2] V. O. Garlea et al., cond-mat/0711.1844. ,1NSF Grant No. DMR-0348679
Recovery and nonrecovery of the untrained state in an exchange-coupled system
NASA Astrophysics Data System (ADS)
Jutimoosik, Jaru; Yimnirun, Rattikorn; Setzer, Annette; Esquinazi, Pablo; Stahn, Jochen; Paul, Amitesh
2015-06-01
We report depth sensitive investigations of the magnetic interaction between exchange-coupled stacked CoO and ferromagnetic Co bilayers (separated by thick Au layers) as we explore the degree of recovery of the untrained state after the first two field cycles. Such a recovery is expected by field cycling a reorientation field (HRE) along a direction (ΩRE) away from the initial field cooling direction. Measurements as a function of ΩRE and the strength of HRE (along each direction) map the influence of ΩRE on the reversal mechanism in the layers and thereby the degree of recovery. Our results are consistent with the earlier observations in similar systems that was realized with ΩRE=90∘ . We ascribe these partial and/or significant recoveries to the unchanged sense of rotation after initial field cooling of the ferromagnetic magnetization upon each field cycling. Furthermore, in our system, we find that this recovery can be regulated by choosing various other HRE and ΩRE values without changing the rotational sense. The best recipe for recovery is identified for ΩRE=45∘ , that can be achieved partially with HRE=3.0 kOe and remain significant even with HRE=10.0 kOe. In this study we not only understand the fundamental mechanism in the recovery of training, but also instigate its technological prospects by lifting the directional restrictions of the reorientation field.
Understanding the approximations of mode-coupling theory for sheared steady states of colloids
NASA Astrophysics Data System (ADS)
Nandi, Saroj Kumar
2015-10-01
The lack of clarity of various mode-coupling theory (MCT) approximations, even in equilibrium, makes it hard to understand the relation between various MCT approaches for sheared steady states as well as their regime of validity. Here we try to understand these approximations indirectly by deriving the MCT equations through two different approaches for a colloidal system under shear, first through a microscopic approach, as suggested by Zaccarelli et al., and second through fluctuating hydrodynamics, where the approximations used in the derivation are quite clear. The qualitative similarity of our theory with a number of existing theories show that linear response theory might play a role in various approximations employed in deriving those theories and one needs to be careful while applying them for systems arbitrarily far away from equilibrium, such as a granular system or when shear is very strong. As a by-product of our calculation, we obtain the extension of the Yvon-Born-Green (YBG) equation for a sheared system and under the assumption of random-phase approximation, the YBG equation yields the distorted structure factor that was earlier obtained through different approaches.
Kirrander, Adam; Shalashilin, Dmitrii V.
2011-09-15
We present an alternate version of the coupled-coherent-state method, specifically adapted for solving the time-dependent Schroedinger equation for multielectron dynamics in atoms and molecules. This theory takes explicit account of the exchange symmetry of fermion particles, and it uses fermion molecular dynamics to propagate trajectories. As a demonstration, calculations in the He atom are performed using the full Hamiltonian and accurate experimental parameters. Single- and double-ionization yields by 160-fs and 780-nm laser pulses are calculated as a function of field intensity in the range 10{sup 14}-10{sup 16} W/cm{sup 2}, and good agreement with experiments by Walker et al. is obtained. Since this method is trajectory based, mechanistic analysis of the dynamics is straightforward. We also calculate semiclassical momentum distributions for double ionization following 25-fs and 795-nm pulses at 1.5x10{sup 15} W/cm{sup 2}, in order to compare them with the detailed experiments by Rudenko et al. For this more challenging task, full convergence is not achieved. However, major effects such as the fingerlike structures in the momentum distribution are reproduced.
Modeling Coupled Climate And Urban Land Use Change In The United States
NASA Astrophysics Data System (ADS)
Milesi, C.; Goetz, S. J.; Wang, W.; Melton, F. S.; Theobald, D.; Nemani, R. R.
2011-12-01
Over the coming decades, population growth and changes in consumption are expected to substantially alter regional land use. These changes in land use are expected to interact with projected changes in climate, resulting in significant impacts on ecosystems. In this study we use the Terrestrial Observation and Prediction System (TOPS), an ecosystem modeling framework, to evaluate the effects of coupled land use and climate change on hydrologic dynamics (runoff) and vegetation carbon uptake (gross productivity) on a number of watersheds projected to undergo significant urban expansion across the United States. TOPS simulations at 1 km spatial resolution are based on land cover predictions from the Spatially Explicit Regional Growth Model (SERGoM) through the year 2100 and an ensemble of climate projections (Bias Corrected and Downscaled WCRP CMIP3). We also present results from an evaluation of simulated scenarios to characterize the mitigation potential of various best management practices for land use planning, such as urban afforestation and replacement of asphalt with permeable surfaces.
Sexual satisfaction among Korean-American couples in the Midwestern United States.
Song, J A; Bergen, M B; Schumm, W R
1995-01-01
One hundred couples composed of American husbands and Korean wives from the midwestern United States were surveyed with respect to sexual satisfaction. Though the responses of spouses were correlated highly, husbands were more satisfied with the quality of the sexual relationship than were wives. As found previously with more general populations, self-esteem and higher levels of positive regard, communication, and cohesion were related to higher sexual satisfaction for both husbands and wives. For wives, higher socioeconomic status and younger age were related to higher sexual satisfaction, as was the husband's being a current or retired member of the US military. Cultural factors were also important; conflicts over sexual practices related to cultural differences, though limited to about 10% of the subjects, were related to sexual satisfaction for both husbands and wives. Wives' English proficiency was related slightly to sexual satisfaction, but not husbands' proficiency in Korean. For husbands only, marital conflict over cultural differences and rejection by relatives and friends were related negatively to sexual satisfaction. Clinical implications of the results are discussed.
Understanding the approximations of mode-coupling theory for sheared steady states of colloids.
Nandi, Saroj Kumar
2015-10-01
The lack of clarity of various mode-coupling theory (MCT) approximations, even in equilibrium, makes it hard to understand the relation between various MCT approaches for sheared steady states as well as their regime of validity. Here we try to understand these approximations indirectly by deriving the MCT equations through two different approaches for a colloidal system under shear, first through a microscopic approach, as suggested by Zaccarelli et al., and second through fluctuating hydrodynamics, where the approximations used in the derivation are quite clear. The qualitative similarity of our theory with a number of existing theories show that linear response theory might play a role in various approximations employed in deriving those theories and one needs to be careful while applying them for systems arbitrarily far away from equilibrium, such as a granular system or when shear is very strong. As a by-product of our calculation, we obtain the extension of the Yvon-Born-Green (YBG) equation for a sheared system and under the assumption of random-phase approximation, the YBG equation yields the distorted structure factor that was earlier obtained through different approaches.
Non-Fermi-Liquid and Topological States with Strong Spin-Orbit Coupling
NASA Astrophysics Data System (ADS)
Moon, Eun-Gook; Xu, Cenke; Kim, Yong Baek; Balents, Leon
2013-11-01
We argue that a class of strongly spin-orbit-coupled materials, including some pyrochlore iridates and the inverted band gap semiconductor HgTe, may be described by a minimal model consisting of the Luttinger Hamiltonian supplemented by Coulomb interactions, a problem studied by Abrikosov and collaborators. It contains twofold degenerate conduction and valence bands touching quadratically at the zone center. Using modern renormalization group methods, we update and extend Abrikosov’s classic work and show that interactions induce a quantum critical non-Fermi-liquid phase, stable provided time-reversal and cubic symmetries are maintained. We determine the universal power-law exponents describing various observables in this Luttinger-Abrikosov-Beneslavskii state, which include conductivity, specific heat, nonlinear susceptibility, and the magnetic Gruneisen number. Furthermore, we determine the phase diagram in the presence of cubic and/or time-reversal symmetry breaking perturbations, which includes a topological insulator and Weyl semimetal phases. Many of these phases possess an extraordinarily large anomalous Hall effect, with the Hall conductivity scaling sublinearly with magnetization σxy˜M0.51.
Non-Fermi-liquid and topological states with strong spin-orbit coupling.
Moon, Eun-Gook; Xu, Cenke; Kim, Yong Baek; Balents, Leon
2013-11-15
We argue that a class of strongly spin-orbit-coupled materials, including some pyrochlore iridates and the inverted band gap semiconductor HgTe, may be described by a minimal model consisting of the Luttinger Hamiltonian supplemented by Coulomb interactions, a problem studied by Abrikosov and collaborators. It contains twofold degenerate conduction and valence bands touching quadratically at the zone center. Using modern renormalization group methods, we update and extend Abrikosov's classic work and show that interactions induce a quantum critical non-Fermi-liquid phase, stable provided time-reversal and cubic symmetries are maintained. We determine the universal power-law exponents describing various observables in this Luttinger-Abrikosov-Beneslavskii state, which include conductivity, specific heat, nonlinear susceptibility, and the magnetic Gruneisen number. Furthermore, we determine the phase diagram in the presence of cubic and/or time-reversal symmetry breaking perturbations, which includes a topological insulator and Weyl semimetal phases. Many of these phases possess an extraordinarily large anomalous Hall effect, with the Hall conductivity scaling sublinearly with magnetization σ(xy)∼M0.51.
Lockard, Jenny V; Zink, Jeffrey I; Trieber Ii, Dwight A; Konradsson, Asgeir E; Weaver, Michael N; Nelsen, Stephen F
2005-02-17
A quantitative model of mixed-valence excited-state spectroscopy is developed and applied to 2,3-diphenyl-2,3-diazabicyclo[2.2.2]octane. The lowest-energy excited state of this molecule arises from a transition from the ground state, where the charge is located on the hydrazine bridge, to an excited state where the charge is associated with one phenyl group or the other. Coupling splits the absorption band into two components with the lower-energy component being the most intense. The sign of the coupling, derived by using a neighboring orbital model, is positive. The transition dipole moments consist of parallel and antiparallel vector components, and selection rules for each are derived. Bandwidths are caused by progressions in totally symmetric modes determined from resonance Raman spectroscopic analysis. The absorption, emission, and Raman spectra are fit simultaneously with one parameter set.
Gotoh, Hideki Sanada, Haruki; Yamaguchi, Hiroshi; Sogawa, Tetsuomi
2014-10-15
Optical nonlinear effects are examined using a two-color micro-photoluminescence (micro-PL) method in a coherently coupled exciton-biexciton system in a single quantum dot (QD). PL and photoluminescence excitation spectroscopy (PLE) are employed to measure the absorption spectra of the exciton and biexciton states. PLE for Stokes and anti-Stokes PL enables us to clarify the nonlinear optical absorption properties in the lowest exciton and biexciton states. The nonlinear absorption spectra for excitons exhibit asymmetric shapes with peak and dip structures, and provide a distinct contrast to the symmetric dip structures of conventional nonlinear spectra. Theoretical analyses with a density matrix method indicate that the nonlinear spectra are caused not by a simple coherent interaction between the exciton and biexciton states but by coupling effects among exciton, biexciton and continuum states. These results indicate that Fano quantum interference effects appear in exciton-biexciton systems at QDs and offer important insights into their physics.
NASA Astrophysics Data System (ADS)
Qin, Xiao-Ke
2016-12-01
We present the model that two-level system (TLS) nonlocally interacts with one-dimensional coupled-resonator array (CRA). The coherent transport of single-photon inside CRA is well controlled by the state of TLS, which functions as quantum switch. Spin up and spin down correspond to switch on and switch off respectively, or vice versa, which originate from the constructive interference and the destructive interference of two coupling paths. We improve the fidelity of quantum switch by preadjusting the frequency of resonators which couple to TLS. Quantum switch realizes quantum beam splitter when TLS is in the superposition state. The single-photon wave packet would entangle with qubit and propagate to the remote resonators.
NASA Astrophysics Data System (ADS)
Aftalion, Amandine; Mason, Peter
2016-08-01
We classify the ground states and topological defects of two-component Bose-Einstein condensates under the effect of internal coherent Rabi coupling. We present numerical phase diagrams which show the boundaries between symmetry-breaking components and various vortex patterns (triangular, square, bound state between vortices). We estimate the Rabi energy in the Thomas-Fermi limit which allows us to have an analytical description of the point energy leading to the formation of the various vortex patterns.
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)
1997-01-01
Recent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.
NASA Astrophysics Data System (ADS)
Kask, Nikolai E.; Michurin, Sergei V.; Fedorov, Gennadii M.; Chopornyak, D. B.
2005-04-01
The results of experimental investigation of a low-temperature plasma produced by laser irradiation at the surface of metal targets are reported. The optical characteristics and the plasma pressure in the laser plume are found to exhibit a threshold behaviour under vaporised-material density variation. The results are interpreted using the model of a coupled plasma state with limitation of plasma expansion.
Shchesnovich, V. S.; Mogilevtsev, D.
2011-07-15
We show that the generators of quantum states of light can be built by employing the Kerr nonlinearity, a strong linear absorption or losses, and the linear coupling of optical modes. Our setup can be realized, for instance, with the use of the optical fiber technology. We consider in detail the simplest cases of three and four coupled modes, where a strongly lossy mode is linearly coupled to other linear and nonlinear modes. In the three-mode design, our scheme emulates the third-order nonlinear absorption, allowing for generation of the single-photon states, or two-photon absorption allowing the generation of the phase states. In the four-mode design, the scheme emulates a nonlocal absorption which produces an entangled state of two uncoupled modes. We also note that in the latter case and in the case of phase state generation the output state is in the linear mode, which prevents its subsequent degradation by strong losses accompanying a strong Kerr nonlinearity.
Lower hybrid heating associated with mode conversion on the Wisconsin toroidal octupole
Owens, T L; Scharer, J E
1980-09-01
Wave heating experiments and wave propagation measurements in the lower hybrid range of frequencies are described. A T antenna launches up to 40 kW of wave power at 140 MHz with better than 95% coupling efficiency. Ion temperature increases of ..delta..T/sub i/ = 37 eV are measured with ..delta..T/sub parallel//T/sub io/ = 12. Ion heating is strongly localized near the lower hybrid turning point for a peak value of (k/sub parallel//..omega..)(KT/sub i//m/sub e/)/sup 1/2/ approx. = 0.3 corresponding to an upshifted k/sub parallel/ spectrum. Wavelength measurements indicate that the upshift in k/sub parallel/ occurs in the interior of the plasma. Other wave measurements show the existence of a large amplitude weakly damped fast wave component in addition to the slow wave.
The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.
Datta, Dipayan; Mukherjee, Debashis
2011-02-07
In this paper, we develop a rigorously spin-adapted version of Mukherjee's state-specific multireference coupled cluster theory (SS-MRCC, also known as Mk-MRCC) [U. S. Mahapatra, B. Datta, and D. Mukherjee, J. Chem. Phys. 110, 6171 (1999)] for reference spaces comprising open-shell configurations. The principal features of our approach are as follows: (1) The wave operator Ω is written as Ω = ∑(μ)Ω(μ)|φ(μ)>c(μ), where {φ(μ)} is the set of configuration state functions spanning a complete active space. (2) In contrast to the Jeziorski-Monkhorst Ansatz in spin-orbital basis, we write Ω(μ) as a power series expansion of cluster operators R(μ) defined in terms of spin-free unitary generators. (3) The operators R(μ) are either closed-shell-like n hole-n particle excitations (denoted as T(μ)) or they involve valence (active) destruction operators (denoted as S(μ)); these latter type of operators can have active-active scatterings, which can also carry the same active orbital labels (such S(μ)'s are called to have spectator excitations). (4) To simulate multiple excitations involving powers of cluster operators, we allow the S(μ)'s carrying the same active orbital labels to contract among themselves. (5) We exclude S(μ)'s with direct spectator scatterings. (6) Most crucially, the factors associated with contracted composites are chosen as the inverse of the number of ways the S(μ)'s can be joined among one another leading to the same excitation. The factors introduced in (6) have been called the automorphic factors by us. One principal thrust of this paper is to show that the use of the automorphic factors imparts a remarkable simplicity to the final amplitude equations: the equations consist of terms that are at most quartic in cluster amplitudes, barring only a few. In close analogy to the Mk-MRCC theory, the inherent linear dependence of the cluster amplitudes leading to redundancy is resolved by invoking sufficiency conditions, which are exact
NASA Astrophysics Data System (ADS)
Leung, K. K. H.; Geltenbort, P.; Ivanov, S.; Rosenau, F.; Zimmer, O.
2016-10-01
Ultracold neutron (UCN) storage measurements were made in a trap constructed from a 1.3-T Halbach octupole permanent (HOPE) magnet array aligned vertically, using the TES port of the PF2 source at the Institut Laue-Langevin. A mechanical UCN valve at the bottom of the trap was used for filling and emptying. This valve was covered with Fomblin grease to induce nonspecular reflections and was used in combination with a movable polyethylene UCN remover inserted from the top for cleaning of above-threshold UCNs. Loss from UCN depolarization was suppressed with a minimum 2-mT bias field. Without using the UCN remover, a total storage time constant of (712 ±19 )s was observed; with the remover inserted for 80 s and used at either 80 cm or 65 cm from the bottom of the trap, time constants of (824 ±32 )s and (835 ±36 )s were observed. Combining the latter two values, a neutron lifetime of τn=(887 ±39 ) s is extracted after primarily correcting for losses at the UCN valve. The time constants of the UCN population during cleaning were observed and compared to calculations based on kinetic theory as well as Monte Carlo studies. These calculations are used to predict above-threshold populations of ˜5 % ,˜0.5 % , and ˜10-12% remaining after cleaning in the no-remover, 80-cm remover, and 65-cm remover measurements. Thus, by using a nonspecular reflector covering the entire bottom of the trap and a remover at the top of the trap, we have established an effective cleaning procedure for removing a major systematic effect in high-precision τn experiments with magnetically stored UCNs.
Spin-state transfer in laterally coupled quantum-dot chains with disorders
NASA Astrophysics Data System (ADS)
Yang, Song; Bayat, Abolfazl; Bose, Sougato
2010-08-01
Quantum dot arrays are a promising medium for transferring quantum information between two distant points without resorting to mobile qubits. Here we study the two most common disorders, namely hyperfine interaction and exchange coupling fluctuations, in quantum dot arrays and their effects on quantum communication through these chains. Our results show that the hyperfine interaction is more destructive than the exchange coupling fluctuations. The average optimal time for communication is not affected by any disorder in the system and our simulations show that antiferromagnetic chains are much more resistive than the ferromagnetic ones against both kind of disorders. Even when time modulation of a coupling and optimal control is employed to improve the transmission, the antiferromagnetic chain performs much better. We have assumed the quasistatic approximation for hyperfine interaction and time-dependent fluctuations in the exchange couplings. Particularly for studying exchange coupling fluctuations we have considered the static disorder, white noise, and 1/f noise.
Zhao Xinyu; Jing Jun; Corn, Brittany; Yu Ting
2011-09-15
Non-Markovian dynamics is studied for two interacting qubits strongly coupled to a dissipative bosonic environment. We derive a non-Markovian quantum-state-diffusion (QSD) equation for the coupled two-qubit system without any approximations, and in particular, without the Markov approximation. As an application and illustration of our derived time-local QSD equation, we investigate the temporal behavior of quantum coherence dynamics. In particular, we find a strongly non-Markovian regime where entanglement generation is significantly modulated by the environmental memory. Additionally, we study residual entanglement in the steady state by analyzing the steady-state solution of the QSD equation. Finally, we discuss an approximate QSD equation.
NASA Astrophysics Data System (ADS)
Perez, Camilo; Faust, Belinda; Mehdipour, Ahmad Reza; Francesconi, Kevin A.; Forrest, Lucy R.; Ziegler, Christine
2014-07-01
The Na+-coupled betaine symporter BetP shares a highly conserved fold with other sequence unrelated secondary transporters, for example, with neurotransmitter symporters. Recently, we obtained atomic structures of BetP in distinct conformational states, which elucidated parts of its alternating-access mechanism. Here, we report a structure of BetP in a new outward-open state in complex with an anomalous scattering substrate, adding a fundamental piece to an unprecedented set of structural snapshots for a secondary transporter. In combination with molecular dynamics simulations these structural data highlight important features of the sequential formation of the substrate and sodium-binding sites, in which coordinating water molecules play a crucial role. We observe a strictly interdependent binding of betaine and sodium ions during the coupling process. All three sites undergo progressive reshaping and dehydration during the alternating-access cycle, with the most optimal coordination of all substrates found in the closed state.
NASA Astrophysics Data System (ADS)
Wenner, James; Neill, C.; Quintana, C.; Campbell, B.; Chen, Z.; Chiaro, B.; Dunsworth, A.; O'Malley, P.; Vainsencher, A.; White, T.; Barends, R.; Chen, Y.; Fowler, A.; Jeffrey, E.; Kelly, J.; Lucero, E.; Megrant, A.; Mutus, J.; Neeley, M.; Roushan, P.; Sank, D.; Martinis, John M.
Deterministic direct quantum state transfer between devices on different chips requires the ability to transfer quantum states between traveling qubits and fixed logic qubits. Reflections must be minimized to avoid energy loss and phase interference; this requires tunable coupling to an inter-chip line while the two devices are at equal frequencies. To achieve this, we use a 6GHz superconducting coplanar resonator with tunable coupling to a 50 Ohm transmission line. We compensate for the resulting shift in resonator frequency by simultaneously tuning a second SQUID. We measure the device coherence and demonstrate the ability to release a single-frequency shaped pulse into the transmission line, efficiently capture a shaped pulse, and deterministically and directly transfer a quantum state.
The role of spin-orbit coupling for the superconducting state in Sr2RuO4
NASA Astrophysics Data System (ADS)
Ng, K. K.; Sigrist, M.
2000-02-01
The odd-parity spin-triplet Cooper pairing states show a six-fold degeneracy for a quasi two-dimensional electron system. In this article we show how spin-orbit coupling can lift this degeneracy for Sr2RuO4 taking the band structure based on the three relevant t2g-orbitals of the Ru-ions into account. The stabilized state depends on the relative strength of the pairing interaction. We show that under reasonable assumptions the chiral pairing state d(k) = hat z(kx±iky) is favored against the others.
NASA Technical Reports Server (NTRS)
Pogorzelski, Ronald J.
2004-01-01
When electronic oscillators are coupled to nearest neighbors to form an array on a hexagonal lattice, the planar phase distributions desired for excitation of a phased array antenna are not steady state solutions of the governing non-linear equations describing the system. Thus the steady state phase distribution deviates from planar. It is shown to be possible to obtain an exact solution for the steady state phase distribution and thus determine the deviation from the desired planar distribution as a function of beam steering angle.
NASA Astrophysics Data System (ADS)
Rojas, M.; de Souza, S. M.; Rojas, Onofre
2017-02-01
The quantum teleportation plays an important role in quantum information process, in this sense, the quantum entanglement properties involving an infinite chain structure is quite remarkable because real materials could be well represented by an infinite chain. We study the teleportation of an entangled state through a couple of quantum channels, composed by Heisenberg dimers in an infinite Ising-Heisenberg diamond chain, the couple of chains are considered sufficiently far away from each other to be ignored the any interaction between them. To teleporting a couple of qubits through the quantum channel, we need to find the average density operator for Heisenberg spin dimers, which will be used as quantum channels. Assuming the input state as a pure state, we can apply the concept of fidelity as a useful measurement of teleportation performance of a quantum channel. Using the standard teleportation protocol, we have derived an analytical expression for the output concurrence, fidelity, and average fidelity. We study in detail the effects of coupling parameters, external magnetic field and temperature dependence of quantum teleportation. Finally, we explore the relations between entanglement of the quantum channel, the output entanglement and the average fidelity of the system. Through a kind of phase diagram as a function of Ising-Heisenberg diamond chain model parameters, we illustrate where the quantum teleportation will succeed and a region where the quantum teleportation could fail.
Carretero-González, R; Kevrekidis, P G; Malomed, B A; Frantzeskakis, D J
2005-05-27
We construct a variety of novel localized topological structures in the 3D discrete nonlinear Schrödinger equation. The states can be created in Bose-Einstein condensates trapped in strong optical lattices and crystals built of microresonators. These new structures, most of which have no counterparts in lower dimensions, range from multipole patterns and diagonal vortices to vortex "cubes" (stack of two quasiplanar vortices) and "diamonds" (formed by two orthogonal vortices).
NASA Astrophysics Data System (ADS)
Chen, Mei; Xie, Qiong-Tao
2011-10-01
The new method proposed recently by Friedberg, Lee, and Zhao is extended to obtain an analytic expansion for the ground-state wavefunction of a time-dependent strong-coupling Schrödinger equation. Two different types of the time-dependent harmonic oscillators are considered as examples for application of the time-dependent expansion. It is shown that the time-dependent strong-coupling expansion is applicable to the time-dependent harmonic oscillators with a slowly varying time-dependent parameter.
Burton, Jennifer; Darbes, Lynae A.; Operario, Don
2009-01-01
HIV is frequently transmitted in the context of partners in a committed relationship, thus couples-focused HIV prevention interventions are a potentially promising modality for reducing infection. We conducted a systematic review of studies testing whether couples-focused behavioral prevention interventions reduce HIV transmission and risk behavior. We included studies using randomized controlled trial designs, quasi-randomized controlled trials and nonrandomized controlled studies. We searched five electronic databases and screened 7628 records. Six studies enrolling 1,084 couples met inclusion criteria and were included in this review. Results across studies consistently indicated that couples-focused programs reduced unprotected sexual intercourse and increased condom use compared with control groups. However, studies were heterogeneous in population, type of intervention, comparison groups, and outcomes measures, and so meta-analysis to calculate pooled effects was inappropriate. Although couples-based approaches to HIV prevention appear initially promising, additional research is necessary to build a stronger theoretical and methodological basis for couples-based HIV prevention, and future interventions must pay closer attention to homosexual couples, adolescents and young people in relationships. PMID:18843530
Trabert, E; Beiersdorfer, P; Brown, G V
2006-12-21
We present measurements of high statistical significance of the rate of the magnetic octupole (M3) decay in nickel-like ions of isotopically pure {sup 129}Xe and {sup 132}Xe. On {sup 132}Xe, an isotope with zero nuclear spin and therefore without hyperfine structure, the lifetime of the metastable level was established as (15.06 {+-} 0.24) ms. On {sup 129}Xe, an additional fast (2.7 {+-} 0.1 ms) decay component was established that represents hyperfine mixing with a level that decays by electric quadrupole (E2) radiation.
Kamenetskii, E. O.; Joffe, R.; Shavit, R.
2011-08-15
A coupled state of an electromagnetic field with an electric or magnetic dipole-carrying excitation is well known as a polariton. Such a state is the result of the mixing of a photon with the excitation of a material. The most discussed types of polaritons are phonon polaritons, exciton polaritons, and surface-plasmon polaritons. Recently, it was shown that, in microwaves, strong magnon-photon coupling can be achieved due to magnetic-dipolar-mode (MDM) vortices in small thin-film ferrite disks. These coupled states can be specified as MDM-vortex polaritons. In this paper, we study the properties of MDM-vortex polaritons. We numerically analyze a variety of topological structures of MDM-vortex polaritons. Based on analytical studies of the MDM spectra, we give theoretical insight into a possible origin for the observed topological properties of the fields. We show that the MDM-vortex polaritons are characterized by helical-mode resonances. We demonstrate the PT-invariance properties of MDM oscillations in a quasi-two-dimensional ferrite disk and show that such properties play an essential role in the physics of the observed topologically distinctive states with the localization or cloaking of electromagnetic fields. We may suppose that one of the useful implementations of the MDM-vortex polaritons could be microwave metamaterial structures and microwave near-field sensors.
NASA Astrophysics Data System (ADS)
Kamenetskii, E. O.; Joffe, R.; Shavit, R.
2011-08-01
A coupled state of an electromagnetic field with an electric or magnetic dipole-carrying excitation is well known as a polariton. Such a state is the result of the mixing of a photon with the excitation of a material. The most discussed types of polaritons are phonon polaritons, exciton polaritons, and surface-plasmon polaritons. Recently, it was shown that, in microwaves, strong magnon-photon coupling can be achieved due to magnetic-dipolar-mode (MDM) vortices in small thin-film ferrite disks. These coupled states can be specified as MDM-vortex polaritons. In this paper, we study the properties of MDM-vortex polaritons. We numerically analyze a variety of topological structures of MDM-vortex polaritons. Based on analytical studies of the MDM spectra, we give theoretical insight into a possible origin for the observed topological properties of the fields. We show that the MDM-vortex polaritons are characterized by helical-mode resonances. We demonstrate the PT-invariance properties of MDM oscillations in a quasi-two-dimensional ferrite disk and show that such properties play an essential role in the physics of the observed topologically distinctive states with the localization or cloaking of electromagnetic fields. We may suppose that one of the useful implementations of the MDM-vortex polaritons could be microwave metamaterial structures and microwave near-field sensors.
Controlling energy transfer time between two coupled magnetic vortex-state disks
NASA Astrophysics Data System (ADS)
Vigo-Cotrina, H.; Guimarães, A. P.
2016-12-01
The influence of the in-plane uniaxial anisotropy (IPUA) in the mutual energy transfer time (τ) between two identical coupled nanodisks was studied. Using an analytical dipolar model, we obtained the interactions between the disks along x and y directions (the coupling integrals) as a function of the uniaxial anisotropy constant (K σ ) and the distance. We find that the IPUA increases the interaction between the disks allowing shorter energy transfer times. For our range of K σ values, we get a drop in the values of τ of up to about 70%. From the Lagrangian of the system, we obtained the equations of motion and the coupling frequencies of the dynamic system as a function of distance and K σ . The coupling frequencies were also obtained from micromagnetic simulations. Our results of the simulations are in agreement with the analytical results.
Synchronized states and multistability in a random network of coupled discontinuous maps
Nag, Mayurakshi; Poria, Swarup
2015-08-15
The synchronization behavior of coupled chaotic discontinuous maps over a ring network with dynamic random connections is reported in this paper. It is observed that random rewiring stabilizes one of the two strongly unstable fixed points of the local map. Depending on initial conditions, the network synchronizes to different unstable fixed points, which signifies the existence of synchronized multistability in the complex network. Moreover, the length of discontinuity of the local map has an important role in generating windows of different synchronized fixed points. Synchronized fixed point and synchronized periodic orbits are found in the network depending on coupling strength and different parameter values of the local map. We have identified the existence of period subtracting bifurcation with respect to coupling strength in the network. The range of coupling strength for the occurrence of synchronized multistable spatiotemporal fixed points is determined. This range strongly depends upon the dynamic rewiring probability and also on the local map.
Sadhukhan, Tumpa; Datta, Anindya; Datta, Sambhu N
2015-09-03
Low-spin ground states and low-lying excited states of higher spin were investigated for four pyrene oxoverdazyl monoradicals 1-4 and eight pyrene dioxoverdazyl diradicals 5-12. The ground states for quartet and quintet spin symmetries that are in reality excited states were found in the region of 565-775 nm above the respective electronic ground states. We calculated the "adiabatic" magnetic exchange coupling constant in the electronic ground state of each isolated biradical (5-12) by unrestricted density functional theory. A number of hybrid functionals such as B3LYP, PBE0, M06, and M06-2X were used. We also used range-separated functionals such as LC-ωPBE and ωB97XD to compare their effects on the coupling constant and the relative energy of the high-spin state. Molecular geometries were optimized for the doublet and quartet spin states of every monoradical (1-4), and the broken symmetry and triplet solutions were optimized for every biradical (5-12), by systematically using 6-311G, 6-311G(d,p), and 6-311++G(d,p) basis sets with each functional. The geometry of each quintet diradical (5-12) was optimized using 6-311G basis set. B3LYP produced the best spin values. The excited state (quartet or quintet)-ground state energy difference (ΔE) increases in the presence of para-phenylene connectors. These energy differences were predicted here. The nature of spin coupling and consequently the ground state spin agree with spin alternation rule and the calculated atomic spin population. The adiabatic coupling constants were predicted for the biradicals (5-12) in their electronic ground states. Electron paramagnetic resonance parameters were determined at 6-311++G** level for the ground state and the quartet state of 1 and compared with the available experimental data. Low-lying excited states were found for the radical center (oxoverdazyl), pyrene, molecule 1, and diradical 5 by time-dependent density functional theory (TDDFT) method using B3LYP hybrid, 6-311++G
NASA Astrophysics Data System (ADS)
Nishitani, Yosuke; Hasumi, Megumi; Kitano, Takeshi
2015-05-01
In order to develop the new engineering materials such as structural materials and tribomaterials based on all plants-derived materials, the influence of silane coupling agent on the rheological properties of hemp fiber (HF) filled polyamide 1010 (PA1010) biomass composites in molten state was investigated for one step of the fabrication of these materials. PA1010 was made from sebacic acid and decamethylenediamine, which are obtained from plant-derived castor oil. Hemp fibers were surface-treated by two types of surface treatment: a) alkali treatment by NaOH solution and b) surface treatment by silane coupling agents with different concentrations. Three types of silane coupling agents: aminosilane, epoxysilane and ureidosilane were used for surface treatment. HF/PA1010 composites were extruded by a twin screw extruder and compression-molded. Rheological behavior in molten state were evaluated by oscillatory flow testing using a parallel plate type rheometer. It was found that the silane coupling agents remarkably influence on: 1) rheological properties such as storage modulus, loss modulus, loss tangent and complex viscosity in low angular frequency region in molten state, 2) temperature dependences of rheological properties, and 3) relationship between phase angle and complex modulus (van Gurp - Palmen plots). These rheological behavior were also strongly influenced by the type of silane coupling agents. The viscoelastic properties (both storage and loss moduli) of aminosilane and epoxysilane treated composites were lower, however, those of ureidosilane treated ones were higher than the moduli of only alkali treated composites. Ureidosilane treated composites were the least temperature sensitive in the surface treated composites investigated here.
NASA Astrophysics Data System (ADS)
Tucholska, Aleksandra M.; Lesiuk, Michał; Moszynski, Robert
2017-01-01
We introduce a new method for the computation of the transition moments between the excited electronic states based on the expectation value formalism of the coupled cluster theory [B. Jeziorski and R. Moszynski, Int. J. Quantum Chem. 48, 161 (1993)]. The working expressions of the new method solely employ the coupled cluster operator T and an auxiliary operator S that is expressed as a finite commutator expansion in terms of T and T†. In the approximation adopted in the present paper, the cluster expansion is limited to single, double, and linear triple excitations. The computed dipole transition probabilities for the singlet-singlet and triplet-triplet transitions in alkali earth atoms agree well with the available theoretical and experimental data. In contrast to the existing coupled cluster response theory, the matrix elements obtained by using our approach satisfy the Hermitian symmetry even if the excitations in the cluster operator are truncated, but the operator S is exact. The Hermitian symmetry is slightly broken if the commutator series for the operator S are truncated. As a part of the numerical evidence for the new method, we report calculations of the transition moments between the excited triplet states which have not yet been reported in the literature within the coupled cluster theory. Slater-type basis sets constructed according to the correlation-consistency principle are used in our calculations.
Fatehi, Shervin; Alguire, Ethan; Shao, Yihan; Subotnik, Joseph E
2011-12-21
We present a method for analytically calculating the derivative couplings between a pair of configuration-interaction-singles (CIS) excited states obtained in an atom-centered basis. Our theory is exact and has been derived using two completely independent approaches: one inspired by the Hellmann-Feynman theorem and the other following from direct differentiation. (The former is new, while the latter is in the spirit of existing approaches in the literature.) Our expression for the derivative couplings incorporates all Pulay effects associated with the use of an atom-centered basis, and the computational cost is minimal, roughly comparable to that of a single CIS energy gradient. We have validated our method against CIS finite-difference results and have applied it to the lowest lying excited states of naphthalene; we find that naphthalene derivative couplings include Pulay contributions sufficient to have a qualitative effect. Going beyond standard problems in analytic gradient theory, we have also constructed a correction, based on perturbative electron-translation factors, for including electronic momentum and eliminating spurious components of the derivative couplings that break translational symmetry. This correction is general and can be applied to any level of electronic structure theory.
Tucholska, Aleksandra M; Lesiuk, Michał; Moszynski, Robert
2017-01-21
We introduce a new method for the computation of the transition moments between the excited electronic states based on the expectation value formalism of the coupled cluster theory [B. Jeziorski and R. Moszynski, Int. J. Quantum Chem. 48, 161 (1993)]. The working expressions of the new method solely employ the coupled cluster operator T and an auxiliary operator S that is expressed as a finite commutator expansion in terms of T and T(†). In the approximation adopted in the present paper, the cluster expansion is limited to single, double, and linear triple excitations. The computed dipole transition probabilities for the singlet-singlet and triplet-triplet transitions in alkali earth atoms agree well with the available theoretical and experimental data. In contrast to the existing coupled cluster response theory, the matrix elements obtained by using our approach satisfy the Hermitian symmetry even if the excitations in the cluster operator are truncated, but the operator S is exact. The Hermitian symmetry is slightly broken if the commutator series for the operator S are truncated. As a part of the numerical evidence for the new method, we report calculations of the transition moments between the excited triplet states which have not yet been reported in the literature within the coupled cluster theory. Slater-type basis sets constructed according to the correlation-consistency principle are used in our calculations.
Quantum transport through a multi-quantum-dot-pair chain side-coupled with Majorana bound states
NASA Astrophysics Data System (ADS)
Zhao-Tan, Jiang; Cheng-Cheng, Zhong
2016-06-01
We investigate the quantum transport properties through a special kind of quantum dot (QD) system composed of a serially coupled multi-QD-pair (multi-QDP) chain and side-coupled Majorana bound states (MBSs) by using the Green functions method, where the conductance can be classified into two kinds: the electron tunneling (ET) conductance and the Andreev reflection (AR) one. First we find that for the nonzero MBS-QDP coupling a sharp AR-induced zero-bias conductance peak with the height of e 2/h is present (or absent) when the MBS is coupled to the far left (or the other) QDP. Moreover, the MBS-QDP coupling can suppress the ET conductance and strengthen the AR one, and further split into two sub-peaks each of the total conductance peaks of the isolated multi-QDPs, indicating that the MBS will make obvious influences on the competition between the ET and AR processes. Then we find that the tunneling rate Γ L is able to affect the conductances of leads L and R in different ways, demonstrating that there exists a Γ L-related competition between the AR and ET processes. Finally we consider the effect of the inter-MBS coupling on the conductances of the multi-QDP chains and it is shown that the inter-MBS coupling will split the zero-bias conductance peak with the height of e 2/h into two sub-peaks. As the inter-MBS coupling becomes stronger, the two sub-peaks are pushed away from each other and simultaneously become lower, which is opposite to that of the single QDP chain where the two sub-peaks with the height of about e 2/2h become higher. Also, the decay of the conductance sub-peaks with the increase of the MBS-QDP coupling becomes slower as the number of the QDPs becomes larger. This research should be an important extension in studying the transport properties in the kind of QD systems coupled with the side MBSs, which is helpful for understanding the nature of the MBSs, as well as the MBS-related QD transport properties. Project supported by the National Natural
Yao, Yao; Zhou, Nengji; Prior, Javier; Zhao, Yang
2015-01-01
It has long been a puzzle on what drives charge separation in artificial polymeric solar cells as a consensus has yet to emerge among rivaling theories based upon electronic localization and delocalization pictures. Here we propose an alternative using the two-bath spin-boson model with simultaneous diagonal and off-diagonal coupling: the critical phase, which is born out of the competition of the two coupling types, and is neither localized nor delocalized. The decoherence-free feature of the critical phase also helps explain sustained coherence of the charge-transfer state. Exploiting Hamiltonian symmetries in an enhanced algorithm of density-matrix renormalization group, we map out boundaries of the critical phase to a precision previously unattainable, and determine the bath spectral densities inducive to the existence of the charge-transfer state. PMID:26412693
Dimant
2000-01-24
Linearly unstable dissipative systems with quadratic nonlinearity occurring in plasma physics, optics, fluid mechanics, etc. are often modeled by a general set of three-wave mode-coupled ordinary differential equations for complex variables. Bounded attractors of the set approximate nonlinearly saturated turbulent states of real physical systems. Exact criteria for boundedness of the attractors are found. Fundamentally different kinds of asymptotic behavior of the wave triad are classified in the parameter space and quantitatively assessed.
NASA Astrophysics Data System (ADS)
Zhang, Xiaomei; Liu, Xiaoting; Liang, Guiying; Li, Rui; Xu, Haifeng; Yan, Bing
2016-01-01
The potential energy curves (PECs) of the 22 Λ-S states of the phosphorus monoiodide (PI) molecule have been calculated at the level of MRCI+Q method with correlation-consistent quadruple-ζ quality basis set. The spectroscopic constants of the bound states are determined, which well reproduce the available measurements. The metastable a1Δ state has been reported for the first time, which lies between the X3Σ- and b1Σ+ states and have much deeper well than the ground state. The R-dependent spin-orbit (SO) matrix elements are calculated with the full-electron Breit-Pauli operator. Based on the SO matrix elements, the perturbations that the 23Π state may suffer from are analyzed in detail. The SOC effect makes the original Λ-S states split into 51 Ω states. In the zero-field splitting of the ground state X3Σ-, the spin-spin coupling contribution (2.23 cm-1) is found to be much smaller compared to the spin-orbit coupling contribution (50 cm-1). The avoided crossings between the Ω states lead to much shallower potential wells and the change of dissociation relationships of the states. The Ω-state wavefunctions are analyzed depending on their Λ-S compositions, showing the strong interactions among several quasidegenerate Λ-S states of the same total SO symmetry. The transition properties including electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) transition moments (TMs), the Franck-Condon factors, the transition probabilities and the radiative lifetimes are computed for the transitions between Ω components of a1Δ and b1Σ+ states and ground state. The transition probabilities induced by the E1, E2, and M1 transitions are evaluated. The E2 makes little effect on transition probabilities. In contrast, the E1 transition makes the main contribution to the transition probability and the M1 transition also brings the influence that cannot be neglected. Finally, the radiative lifetimes are determined with the transition moments including E
Oyarzún, S; Nandy, A K; Rortais, F; Rojas-Sánchez, J-C; Dau, M-T; Noël, P; Laczkowski, P; Pouget, S; Okuno, H; Vila, L; Vergnaud, C; Beigné, C; Marty, A; Attané, J-P; Gambarelli, S; George, J-M; Jaffrès, H; Blügel, S; Jamet, M
2016-12-15
The spin-orbit coupling relating the electron spin and momentum allows for spin generation, detection and manipulation. It thus fulfils the three basic functions of the spin field-effect transistor. However, the spin Hall effect in bulk germanium is too weak to produce spin currents, whereas large Rashba effect at Ge(111) surfaces covered with heavy metals could generate spin-polarized currents. The Rashba spin splitting can actually be as large as hundreds of meV. Here we show a giant spin-to-charge conversion in metallic states at the Fe/Ge(111) interface due to the Rashba coupling. We generate very large charge currents by direct spin pumping into the interface states from 20 K to room temperature. The presence of these metallic states at the Fe/Ge(111) interface is demonstrated by first-principles electronic structure calculations. By this, we demonstrate how to take advantage of the spin-orbit coupling for the development of the spin field-effect transistor.
NASA Astrophysics Data System (ADS)
Oyarzún, S.; Nandy, A. K.; Rortais, F.; Rojas-Sánchez, J.-C.; Dau, M.-T.; Noël, P.; Laczkowski, P.; Pouget, S.; Okuno, H.; Vila, L.; Vergnaud, C.; Beigné, C.; Marty, A.; Attané, J.-P.; Gambarelli, S.; George, J.-M.; Jaffrès, H.; Blügel, S.; Jamet, M.
2016-12-01
The spin-orbit coupling relating the electron spin and momentum allows for spin generation, detection and manipulation. It thus fulfils the three basic functions of the spin field-effect transistor. However, the spin Hall effect in bulk germanium is too weak to produce spin currents, whereas large Rashba effect at Ge(111) surfaces covered with heavy metals could generate spin-polarized currents. The Rashba spin splitting can actually be as large as hundreds of meV. Here we show a giant spin-to-charge conversion in metallic states at the Fe/Ge(111) interface due to the Rashba coupling. We generate very large charge currents by direct spin pumping into the interface states from 20 K to room temperature. The presence of these metallic states at the Fe/Ge(111) interface is demonstrated by first-principles electronic structure calculations. By this, we demonstrate how to take advantage of the spin-orbit coupling for the development of the spin field-effect transistor.
Competing magnetic ground states and their coupling to the crystal lattice in CuFe2Ge2
May, Andrew F.; Calder, Stuart; Parker, David S.; Sales, Brian C.; McGuire, Michael A.
2016-01-01
Identifying and characterizing systems with coupled and competing interactions is central to the development of physical models that can accurately describe and predict emergent behavior in condensed matter systems. This work demonstrates that the metallic compound CuFe2Ge2 has competing magnetic ground states, which are shown to be strongly coupled to the lattice and easily manipulated using temperature and applied magnetic fields. Temperature-dependent magnetization M measurements reveal a ferromagnetic-like onset at 228 (1) K and a broad maximum in M near 180 K. Powder neutron diffraction confirms antiferromagnetic ordering below TN ≈ 175 K, and an incommensurate spin density wave is observed below ≈125 K. Coupled with the small refined moments (0.5–1 μB/Fe), this provides a picture of itinerant magnetism in CuFe2Ge2. The neutron diffraction data also reveal a coexistence of two magnetic phases that further highlights the near-degeneracy of various magnetic states. These results demonstrate that the ground state in CuFe2Ge2 can be easily manipulated by external forces, making it of particular interest for doping, pressure, and further theoretical studies. PMID:27739477
Competing magnetic ground states and their coupling to the crystal lattice in CuFe2Ge2
May, Andrew F.; Calder, Stuart; Parker, David S.; ...
2016-10-14
Identifying and characterizing systems with coupled and competing interactions is central to the development of physical models that can accurately describe and predict emergent behavior in condensed matter systems. This work demonstrates that the metallic compound CuFe2Ge2 has competing magnetic ground states, which are shown to be strongly coupled to the lattice and easily manipulated using temperature and applied magnetic fields. The temperature-dependent magnetization M measurements reveal a ferromagnetic-like onset at 228 (1) K and a broad maximum in M near 180 K. Powder neutron diffraction confirms antiferromagnetic ordering below TN ≈ 175 K, and an incommensurate spin density wavemore » is observed below ≈125 K. Coupled with the small refined moments (0.5–1 μB/Fe), this provides a picture of itinerant magnetism in CuFe2Ge2. Furthermore, the neutron diffraction data reveal a coexistence of two magnetic phases that further highlights the near-degeneracy of various magnetic states. Our results demonstrate that the ground state in CuFe2Ge2 can be easily manipulated by external forces, making it of particular interest for doping, pressure, and further theoretical studies.« less
Oyarzún, S.; Nandy, A. K.; Rortais, F.; Rojas-Sánchez, J.-C.; Dau, M.-T.; Noël, P.; Laczkowski, P.; Pouget, S.; Okuno, H.; Vila, L.; Vergnaud, C.; Beigné, C.; Marty, A.; Attané, J.-P.; Gambarelli, S.; George, J.-M.; Jaffrès, H.; Blügel, S.; Jamet, M.
2016-01-01
The spin–orbit coupling relating the electron spin and momentum allows for spin generation, detection and manipulation. It thus fulfils the three basic functions of the spin field-effect transistor. However, the spin Hall effect in bulk germanium is too weak to produce spin currents, whereas large Rashba effect at Ge(111) surfaces covered with heavy metals could generate spin-polarized currents. The Rashba spin splitting can actually be as large as hundreds of meV. Here we show a giant spin-to-charge conversion in metallic states at the Fe/Ge(111) interface due to the Rashba coupling. We generate very large charge currents by direct spin pumping into the interface states from 20 K to room temperature. The presence of these metallic states at the Fe/Ge(111) interface is demonstrated by first-principles electronic structure calculations. By this, we demonstrate how to take advantage of the spin–orbit coupling for the development of the spin field-effect transistor. PMID:27976747
Matrix elements in the coupled-cluster approach - With application to low-lying states in Li
NASA Technical Reports Server (NTRS)
Martensson-Pendrill, Ann-Marie; Ynnerman, Anders
1990-01-01
A procedure is suggested for evaluating matrix elements of an operator between wavefunctions in the coupled-cluster form. The use of the exponential ansatz leads to compact exponential expressions also for matrix elements. Algorithms are developed for summing all effects of one-particle clusters and certain chains of two-particle clusters (containing the well-known random-phase approximation as a subset). The treatment of one-particle perturbations in single valence states is investigated in detail. As examples the oscillator strength for the 2s-2p transition in Li as well as the hyperfine structure for the two states are studied and compared to earlier work.
NASA Astrophysics Data System (ADS)
Ummelen, F. C.; Fernández-Pacheco, A.; Mansell, R.; Petit, D.; Swagten, H. J. M.; Cowburn, R. P.
2017-03-01
Canted magnetization is obtained in ultrathin, antiferromagnetically coupled magnetic bilayers with thicknesses around the spin reorientation transition. The canting angle is controlled by both the magnetic layer thickness and interlayer coupling strength, which are tuned independently. Hysteresis loops are obtained, where magnetization components parallel and transverse to the applied field are measured, and analyzed by comparison to micromagnetic simulations. This enables the canting angle to be extracted and the behavior of the individual layers to be distinguished. Two types of canted systems are obtained with either single-layer reversal or complex, coupled two-layer reversal, under moderate external magnetic fields. Controlling the magnetization canting and reversal behavior of ultra-thin layers is relevant for the development of magnetoresistive random-access memory and spin-torque oscillator devices.
Krisiloff, David B.; Oyeyemi, Victor B.; Libisch, Florian; Carter, Emily A.
2014-01-14
A Multireference Configuration Interaction (MRCI) wavefunction includes both static and dynamic electron correlation. MRCI's well-known flaw, a lack of size extensivity, can be ameliorated with the Multireference Averaged Coupled-Pair Functional (MRACPF). However, the original MRACPF is frequently unstable, sometimes producing unphysical results. The more Multireference Averaged Quadratic Coupled-Cluster and MRACPF2 functionals also occasionally exhibit unphysical behavior. We find that these instabilities are avoided crossings with unphysical solutions to the MRACPF equations. We present two approaches to avoid the undesirable unphysical solutions.
Nonadiabatic couplings in low-energy collisions of hydrogen ground-state atoms
Wolniewicz, L.
2003-10-01
The effect of nonadiabatic couplings on low-energy s-wave scattering of two hydrogen atoms is investigated. Coupling matrix elements are computed in a wide range of internuclear distances. The resulting scattering equations are numerically unstable and therefore are integrated only approximately. Computations are performed for H, D, and T atoms. The phase shifts in the zero velocity limit are inversely proportional to the nuclear reduced mass {delta}{sub 0}{approx_equal}0.392/{mu}. This leads to infinite scattering lengths.
Multi-GPU unsteady 2D flow simulation coupled with a state-to-state chemical kinetics
NASA Astrophysics Data System (ADS)
Tuttafesta, Michele; Pascazio, Giuseppe; Colonna, Gianpiero
2016-10-01
In this work we are presenting a GPU version of a CFD code for high enthalpy reacting flow, using the state-to-state approach. In supersonic and hypersonic flows, thermal and chemical non-equilibrium is one of the fundamental aspects that must be taken into account for the accurate characterization of the plasma and state-to-state kinetics is the most accurate approach used for this kind of problems. This model consists in writing a continuity equation for the population of each vibrational level of the molecules in the mixture, determining at the same time the species densities and the distribution of the population in internal levels. An explicit scheme is employed here to integrate the governing equations, so as to exploit the GPU structure and obtain an efficient algorithm. The best performances are obtained for reacting flows in state-to-state approach, reaching speedups of the order of 100, thanks to the use of an operator splitting scheme for the kinetics equations.
Stability of the synchronous state of an arbitrary network of coupled elements
NASA Astrophysics Data System (ADS)
Boccaletti, S.; Koronovsky, A. A.; Trubetskov, D. I.; Khramov, A. E.; Khramova, A. E.
2006-10-01
We propose a method for determining the range of the coupling parameter for which the network of slightly nonidentical chaotic oscillators demonstrates stable synchronous behavior. As an example of using this method, we study the complete-synchronization regime of a network of nonidentical Rossler oscillators.
Depression among Couples in the United States in the Context of Intimate Partner Violence
ERIC Educational Resources Information Center
Vaeth, Patrice A. C.; Ramisetty-Mikler, Suhasini; Caetano, Raul
2010-01-01
This paper examines the relationship between intimate partner violence and depression. A multicluster random household sample of U.S. couples was interviewed as part of a five-year national longitudinal study (response rate = 72%). Depression was assessed with the CES-D. The multivariate analyses for men showed that the odds of depression did not…
NASA Astrophysics Data System (ADS)
Misra, Gaurav; Izadi, Maziar; Sanyal, Amit; Scheeres, Daniel
2016-04-01
The effects of dynamical coupling between the rotational (attitude) and translational (orbital) motion of spacecraft near small Solar System bodies is investigated. This coupling arises due to the weak gravity of these bodies, as well as solar radiation pressure. The traditional approach assumes a point-mass spacecraft model to describe the translational motion of the spacecraft, while the attitude motion is considered to be completely decoupled from the translational motion. The model used here to describe the rigid-body spacecraft dynamics includes the non-uniform rotating gravity field of the small body up to second degree and order along with the attitude dependent terms, solar tide, and solar radiation pressure. This model shows that the second degree and order gravity terms due to the small body affect the dynamics of the spacecraft to the same extent as the orbit-attitude coupling due to the primary gravity (zeroth order) term. Variational integrators are used to simulate the dynamics of both the rigid spacecraft and the point mass. The small bodies considered here are modeled after Near-Earth Objects (NEO) 101955 Bennu, and 25143 Itokawa, and are assumed to be triaxial ellipsoids with uniform density. Differences in the numerically obtained trajectories of a rigid spacecraft and a point mass are then compared, to illustrate the impact of the orbit-attitude coupling on spacecraft dynamics in proximity of small bodies. Possible implications on the performance of model-based spacecraft control and on the station-keeping budget, if the orbit-attitude coupling is not accounted for in the model of the dynamics, are also discussed. An almost globally asymptotically stable motion estimation scheme based solely on visual/optical feedback that estimates the relative motion of the asteroid with respect to the spacecraft is also obtained. This estimation scheme does not require a model of the dynamics of the asteroid, which makes it perfectly suited for asteroids whose
Coupling ZnSe band spin states and 4H-SiC defect spin states across their interface
NASA Astrophysics Data System (ADS)
Yeats, Andrew L.; Richardella, Anthony; Samarth, Nitin; Awschalom, David D.
2014-03-01
Point defects in silicon carbide (SiC) have emerged as a promising platform for quantum information processing and nanoscale sensing in a technologically-mature semiconductor. ZnSe is a promising candidate for semiconductor spintronic applications and has selection rules compatible with optical orientation of conduction electron spins. We combine pump-probe optical measurements with pulsed optically detected magnetic resonance (ODMR) sequences to investigate coupling between SiC defect spins and ZnSe conduction electron spins in ZnSe/4H-SiC heterostructures. Preparation of these structures by molecular beam epitaxy (MBE) and ion implantation is discussed in terms of interface optimization. This work is supported by NSF, ONR and AFOSR.
NASA Astrophysics Data System (ADS)
Copan, Andreas V.; Schaefer, Henry F., III; Agarwal, Jay
2015-10-01
Peroxy radicals (RO2) are intermediates in fuel combustion, where they engage in efficiency-limiting autoignition reactions. They also participate in atmospheric chemistry leading to the formation of unwanted tropospheric ozone. Advances in spectroscopic techniques have allowed for the possibility of employing the lowest (?) electronic transition of RO2 as a tool to selectively monitor these species, enabling accurate kinetic values to be obtained. Herein, high-level ab initio methods are employed to systematically refine spectroscopic predictions for the methyl peroxy radical (CH3O2), one of the most abundant peroxy radicals in the atmosphere. In particular, vibrationally corrected geometries and anharmonic vibrational frequencies for both the ground (?) and first excited (?) state are predicted using coupled-cluster theory with up to perturbative triples [CCSD(T)] and large atomic natural orbital basis sets. Equation-of-motion coupled-cluster theory is utilised to compute vertical ? transition properties; a radiative lifetime of 4.7 ms is suggested for the excited state. Finally, we predict the adiabatic excitation energy (T0) via systematic extrapolation to the complete basis limit of coupled-cluster with up to full quadruples (CCSDTQ). After accounting for several approximations, and including an anharmonic zero-point vibrational energy correction, we match experiment for this transition to within 9 cm-1. Dedicated to Professor Sourav Pal.
Classical strongly coupled quark-gluon plasma. II. Screening and equation of state
NASA Astrophysics Data System (ADS)
Gelman, Boris A.; Shuryak, Edward V.; Zahed, Ismail
2006-10-01
We analyze the screening and bulk energy of a classical and strongly interacting plasma of color charges, a model we recently introduced for the description of a quark-gluon plasma at T=(1-3)Tc. The partition function is organized around the Debye-Hückel limit. The linear Debye-Hückel limit is corrected by a virial expansion. For the pressure, the expansion is badly convergent even in the dilute limit. The nonlinear Debye-Hückel theory is studied numerically as an alternative for moderately strong plasmas. We use the Debye theory of solid to extend the analysis to the crystal phase at very strong coupling. The analytical results for the bulk energy per particle compare well with the numerical results from molecular dynamics simulations for all couplings.
NASA Astrophysics Data System (ADS)
Yao, Jiang-Ming; Meng, Jie; D. Pena, Arteaga; Ring, P.
2008-10-01
A full three-dimensional angular momentum projection on top of a triaxial relativistic mean-Geld calculation is implemented for the first time. The underlying Lagrangian is a point coupling model and pairing correlations are taken into account by a monopole force. This method is applied for the low-lying excited states in 24Mg. Good agreement with the experimental data is found for the ground state properties. A minimum in the potential energy surface for the 2+1 state, with β ≃ 0.55,γ ≃ 10°, is used as the basis to investigate the rotational energy spectrum as well as the corresponding B(E2) transition probabilities as compared to the available data.
NASA Astrophysics Data System (ADS)
van den Berg, J. J.; Kaverzin, A.; van Wees, B. J.
2016-12-01
Hanle spin precession measurements are a common method to extract the spin transport properties of graphene. In epitaxial graphene on silicon carbide, these measurements show unexpected behavior, due to presumed localized states in the carbon buffer layer that is present between the channel and the substrate. As a consequence, the Hanle curve narrows in its magnetic field dependence and can show an unconventional shape, which has been experimentally observed and modeled in previous studies. Here, we extend the previously developed model by assuming that the localized states are charge traps, that have a power-law distribution of trapping times. Our simulations show that the energy dependence of these trapping times can be extracted from the temperature evolution of the Hanle curve, which was previously observed in experiments. Our extended model gives better insight into what processes play a role when a spin channel is coupled to localized states and their relation to the experimental observations.
NASA Astrophysics Data System (ADS)
Gorby, M.
2015-12-01
Recent advancements in coupling the Earth Moon Mars Radiation Environment Module (EMMREM) and two MHD models, Magnetohydrodynamics Around a Sphere (MAS) and ENLIL, have yielded promising results for predicting differential energy flux and radiation doses at 1AU. The EMMREM+MAS coupling focuses on the details of particle acceleration due to CMEs initiated low in the corona (1Rs - 20Rs). The EMMREM+ENLIL coupling gives results for CMEs initiated at ~20Rs and is part of a predictive capability being developed in conjunction with the CCMC. The challenge in forming large solar energetic particle events in both the prompt scenario lower down or for a gradual CME further out is to have enhanced scattering within the acceleration regions while also allowing for efficient escape of accelerated particles downstream. We present here details of the MHD parameters and topology of a CME around the acceleration regions in the early evolution (below 2Rs), dose and flux predictions at 1AU, and how compression regions vs. shocks affect the evolution and spectrum of an SEP event.
de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper; Gregersen, Niels
2015-12-15
We present and validate a semianalytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities, a nontrivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.
Ugur, O; Onaran, H O
1997-05-01
We used a simple experimental approach to clarify some contradictory predictions of the collision coupling and equilibrium models (e.g. ternary complex, two-state ternary complex or quinternary complex), which describe G-protein-mediated beta-adrenergic receptor signalling in essentially different manners. Analysis of the steady-state coupling of beta-adrenoceptors to adenylate cyclase in turkey erythrocyte membranes showed that: (1) in the absence of an agonist, Gpp(NH)p (a hydrolysis-resistant analogue of GTP) can activate adenylate cyclase very slowly; (2) this activity reaches a steady state in approx. 5 h, the extent of activity depending on the concentration of the nucleotide; (3) isoprenaline-activated steady-state adenylate cyclase can be inactivated by propranolol (a competitive antagonist that relaxes the receptor activation), in the presence of Gpp(NH)p (which provides a virtual absence of GTPase) and millimolar concentrations of Mg2+ (the rate of this inactivation is relatively fast); (4) increasing the concentration of Gpp(NH)p can saturate the steady-state activity of adenylate cyclase. The saturated enzyme activity was lower than that induced by isoprenaline under the same conditions. This additional agonist-induced activation was reversible. In the light of these results, we conclude that agonist can also activate the guanine nucleotide-saturated system in the absence of GTPase by a mechanism other than guanine nucleotide exchange. We explain these phenomena in the framework of a quinternary complex model as an agonist-induced and receptor-mediated dissociation of guanine nucleotide-saturated residual heterotrimer, the equilibrium concentration of which is not necessarily zero. These results, which suggest a continuous interaction between receptor and G-protein, can hardly be accommodated by the collision coupling model that was originally suggested for the present experimental system and then applied to many other G-protein systems. Therefore we
Fano effect in an AB interferometer with a quantum dot side-coupled to a single Majorana bound state
NASA Astrophysics Data System (ADS)
Zeng, Qi-Bo; Chen, Shu; Lü, Rong
2016-02-01
We study the conductance and interference effects through an AB interferometer with an embedded quantum dot (QD) side-coupled to a single Majorana bound state (MBS) by using non-equilibrium Green's function method. The energy levels appearing in the QD are calculated by diagonalizing the Hamiltonian of the embedded QD-MBS system. When the single QD energy level ɛ0 is set to 0, there are three discrete energy levels in the QD appearing at around ω = 0, ±√{ɛM2 + 2λ2 } due to the coupling with MBS where ɛM is the coupling strength between the two MBSs at the two ends of the nanowire and λ is the coupling strength between the MBS and the QD. Asymmetric Fano lineshapes are found around these levels in the conductance due to the interference between electrons traversing through different paths. The phase shift of electrons through the QD changes from π / 2 to - π / 2 at each of these three energy values. However, the phase does not vary smoothly between these three energy levels but shows severe changes from - π / 2 to π / 2 at ω = ±√{ɛM2 +λ2 }. As a comparison, we also study the similar AB interferometer in which the QD-MBS system is replaced by a normal QD-QD system or a simple single QD system, which shows only two or one Fano peak and the phase shifts from π / 2 to - π / 2 only at the Fano peaks. These differences reflect the distinct influences of Majorana bound state on the transport properties of AB interferometer.
Thingna, Juzar; Zhou, Hangbo; Wang, Jian-Sheng
2014-11-21
We present a general theory to calculate the steady-state heat and electronic currents for nonlinear systems using a perturbative expansion in the system-bath coupling. We explicitly demonstrate that using the truncated Dyson-series leads to divergences in the steady-state limit, thus making it impossible to be used for actual applications. In order to resolve the divergences, we propose a unique choice of initial condition for the reduced density matrix, which removes the divergences at each order. Our approach not only allows us to use the truncated Dyson-series, with a reasonable choice of initial condition, but also gives the expected result that the steady-state solutions should be independent of initial preparations. Using our improved Dyson series we evaluate the heat and electronic currents up to fourth-order in system-bath coupling, a considerable improvement over the standard quantum master equation techniques. We then numerically corroborate our theory for archetypal settings of linear systems using the exact nonequilibrium Green's function approach. Finally, to demonstrate the advantage of our approach, we deal with the nonlinear spin-boson model to evaluate heat current up to fourth-order and find signatures of cotunnelling process.
Thingna, Juzar; Zhou, Hangbo; Wang, Jian-Sheng
2014-11-21
We present a general theory to calculate the steady-state heat and electronic currents for nonlinear systems using a perturbative expansion in the system-bath coupling. We explicitly demonstrate that using the truncated Dyson-series leads to divergences in the steady-state limit, thus making it impossible to be used for actual applications. In order to resolve the divergences, we propose a unique choice of initial condition for the reduced density matrix, which removes the divergences at each order. Our approach not only allows us to use the truncated Dyson-series, with a reasonable choice of initial condition, but also gives the expected result that the steady-state solutions should be independent of initial preparations. Using our improved Dyson series we evaluate the heat and electronic currents up to fourth-order in system-bath coupling, a considerable improvement over the standard quantum master equation techniques. We then numerically corroborate our theory for archetypal settings of linear systems using the exact nonequilibrium Green's function approach. Finally, to demonstrate the advantage of our approach, we deal with the nonlinear spin-boson model to evaluate heat current up to fourth-order and find signatures of cotunnelling process.
NASA Astrophysics Data System (ADS)
Mishra, Sabyashachi; Domcke, Wolfgang; Poluyanov, Leonid V.
2007-10-01
The vibronic structure of the A˜3Π excited electronic state of CCX (X = O, S, Se) and CNY (Y = N, P, As) has been calculated by considering Renner-Teller coupling together with spin-orbit coupling. The vibronic and spin-orbit coupling parameters have been determined by accurate ab initio electronic-structure calculations. The effect of the linear (in the bending mode) spin-orbit coupling mechanism [S. Mishra et al., J. Chem. Phys. 126 (2007) 134312] on the vibronic structure of the 3Π electronic state has been discussed. The vibronic structures of the A˜3Π electronic state of CCSe and CNAs are found to exhibit pronounced perturbations due to the linear spin-orbit coupling term.
Liebel, M; Schnedermann, C; Kukura, P
2014-05-16
Coupling of nuclear and electronic degrees of freedom mediates energy flow in molecules after optical excitation. The associated coherent dynamics in polyatomic systems, however, remain experimentally unexplored. Here, we combined transient absorption spectroscopy with electronic population control to reveal nuclear wave packet dynamics during the S2 → S1 internal conversion in β-carotene. We show that passage through a conical intersection is vibrationally coherent and thereby provides direct feedback on the role of different vibrational coordinates in the breakdown of the Born-Oppenheimer approximation.
NASA Astrophysics Data System (ADS)
Liebel, M.; Schnedermann, C.; Kukura, P.
2014-05-01
Coupling of nuclear and electronic degrees of freedom mediates energy flow in molecules after optical excitation. The associated coherent dynamics in polyatomic systems, however, remain experimentally unexplored. Here, we combined transient absorption spectroscopy with electronic population control to reveal nuclear wave packet dynamics during the S2→S1 internal conversion in β-carotene. We show that passage through a conical intersection is vibrationally coherent and thereby provides direct feedback on the role of different vibrational coordinates in the breakdown of the Born-Oppenheimer approximation.
Fisher, Harvey F
2016-08-01
The transient-state kinetic approach has failed to reach its full potential despite its advantage over the steady-state approach in its ability to observe mechanistic events directly and in real time. This failure has been due in part to the lack of any rigorously derived and readily applicable body of theory corresponding to that which currently characterizes the steady-state approach. In order to clarify the causes of this discrepancy and to suggest a route to its solution we examine the capabilities and limitations of the various forms of transient-state kinetic approaches to the mathematical resolution of enzymatic reaction mechanisms currently available. We document a lack of validity inherent in their basic assumptions and suggest the need for a potentially more rigorous analytic approach.
NASA Technical Reports Server (NTRS)
Fan, An-Fu; Sun, Nian-Chun; Zhou, Xin
1996-01-01
The Phase-dynamical properties of the squeezed vacuum state intensity-couple interacting with the two-level atom in an ideal cavity are studied using the Hermitian phase operator formalism. Exact general expressions for the phase distribution and the associated expectation value and variance of the phase operator have been derived. we have also obtained the analytic results of the phase variance for two special cases-weakly and strongly squeezed vacuum. The results calculated numerically show that squeezing has a significant effect on the phase properties of squeezed vacuum.
Excitation-contraction coupling in rested-state contractions of guinea-pig ventricular myocardium.
Reiter, M; Vierling, W; Seibel, K
1984-02-01
Different types of rested-state contractions were examined under the influence of various inotropic agents. In magnesium-free solution, in low sodium (40 mmol/l) solution or in the presence of dihydroouabain, an "early" rested-state contraction developed without delay after stimulation. A distinctive "late" rested-state contraction was observed under the influence of noradrenaline. It is characterized by a latent period of about 100 ms between stimulation and onset of contraction. This latency was not reduced by increasing the catecholamine concentration, despite a concentration-dependent increase in the height of the "late" rested-state contraction. The late rested-state contraction under the influence of noradrenaline was suppressed by the slow inward current inhibitor nifedipine whether or not the nifedipine-dependent shortening of the action potential duration was prevented by caesium. When the slow inward current was not inhibited, the prolongation of the action potential duration by caesium resulted in an increase of the late rested-state contraction because of a prolongation of the time to peak force. High concentrations of dihydroouabain led to the appearance of an early contraction component without appreciably influencing the noradrenaline-dependent late component. From this it was deduced that the activator calcium for the late rested-state contraction was not stored intracellularly during rest prior to stimulation and, consequently, could not have been released by inflowing calcium. Instead, it is proposed that the activator calcium for the late rested-state contraction entered the sites of the sarcoplasmic reticulum and subsequently released from its release sites as long as the cell was depolarized. The "early" rested-state contractions in Mg2+-free solution, in low sodium solution or in the presence of dihydroouabain were not influenced in their contraction velocity by high concentrations of nifedipine which fully inhibited the late rested-state
NASA Astrophysics Data System (ADS)
Nap, Rikkert; Szleifer, Igal
2014-03-01
A key challenge in nanomedicine is to design carrier system for drug delivery that selectively binds to target cells without binding to healthy cells. A common strategy is to end-functionalize the polymers coating of the delivery device with specific ligands that bind strongly to overexpressed receptors. Such devices are usually unable to discriminate between receptors found on benign and malignant cells. We demonstrate, theoretically, how one can achieve selective binding to target cells by using multiple physical and chemical interactions. We study the effective interactions between a polymer decorated nanosized micelle or solid nanoparticle with model lipid layers. The polymer coating contains a mixture of two polymers, one neutral for protection and the other a polybase with a functional end-group to optimize specific binding and electrostatic interactions with the charged lipid head-groups found on the lipid surface. The strength of the binding for the combined system is much larger than the sum of the independent electrostatic or specific ligand-receptor binding. The search for optimal binding conditions lead to the finding of a non-additive coupling that exists in systems where chemical equilibrium, molecular organization, and physical interactions are coupled together.
Formation of Organometallic Intermediate States in On-Surface Ullmann Couplings.
Barton, Dennis; Gao, Hong-Ying; Held, Philipp Alexander; Studer, Armido; Fuchs, Harald; Doltsinis, Nikos L; Neugebauer, Johannes
2017-02-17
Possible origins of the formation of organometallic intermediates in on-surface Ullmann couplings have been investigated by surface tunneling microscopy (STM) and density functional theory (DFT) calculations. We consider the case of iodobenzenes on the coinage metals Au, Ag and Cu. We found experimental evidence for the formation of surface vacancies and the presence of metal adatoms in these coupling reactions, which are taken as a hint for the reactive extraction of surface atoms by adsorbates. In a second step, we demonstrate by ab initio molecular dynamics calculations for aryl-iodides on copper that metal atoms can be pulled out of the surface to form metalorganic species. By contrast, a thermally activated provision of a metal atom from the surface to form an adatom is energetically unfavourable. Finally, we investigate the mechanism and energetics of the reactive extraction of surface metal atoms by means of (climbing-image) nudged-elastic-band density-functional theory calculations for iodobenzene on copper, silver and gold, and analyze our results in the light of the experimental findings.
Ku, Wai Lim; Girvan, Michelle; Ott, Edward
2015-12-15
In this paper, we study dynamical systems in which a large number N of identical Landau-Stuart oscillators are globally coupled via a mean-field. Previously, it has been observed that this type of system can exhibit a variety of different dynamical behaviors. These behaviors include time periodic cluster states in which each oscillator is in one of a small number of groups for which all oscillators in each group have the same state which is different from group to group, as well as a behavior in which all oscillators have different states and the macroscopic dynamics of the mean field is chaotic. We argue that this second type of behavior is “extensive” in the sense that the chaotic attractor in the full phase space of the system has a fractal dimension that scales linearly with N and that the number of positive Lyapunov exponents of the attractor also scales linearly with N. An important focus of this paper is the transition between cluster states and extensive chaos as the system is subjected to slow adiabatic parameter change. We observe discontinuous transitions between the cluster states (which correspond to low dimensional dynamics) and the extensively chaotic states. Furthermore, examining the cluster state, as the system approaches the discontinuous transition to extensive chaos, we find that the oscillator population distribution between the clusters continually evolves so that the cluster state is always marginally stable. This behavior is used to reveal the mechanism of the discontinuous transition. We also apply the Kaplan-Yorke formula to study the fractal structure of the extensively chaotic attractors.
Nayak, R. K.; Das, S.; Panda, A. K.; Sahu, T.
2015-11-15
We show that sharp nonmonotic variation of low temperature electron mobility μ can be achieved in GaAs/Al{sub x}Ga{sub 1-x}As barrier delta-doped double quantum well structure due to quantum mechanical transfer of subband electron wave functions within the wells. We vary the potential profile of the coupled structure as a function of the doping concentration in order to bring the subbands into resonance such that the subband energy levels anticross and the eigen states of the coupled structure equally share both the wells thereby giving rise to a dip in mobility. When the wells are of equal widths, the dip in mobility occurs under symmetric doping of the side barriers. In case of unequal well widths, the resonance can be obtained by suitable asymmetric variation of the doping concentrations. The dip in mobility becomes sharp and also the wavy nature of mobility takes a rectangular shape by increasing the barrier width. We show that the dip in mobility at resonance is governed by the interface roughness scattering through step like changes in the subband mobilities. It is also gratifying to show that the drop in mobility at the onset of occupation of second subband is substantially supressed through the quantum mechanical transfer of subband wave functions between the wells. Our results can be utilized for performance enhancement of coupled quantum well devices.
Glaser, Thorsten; Heidemeier, Maik; Grimme, Stefan; Bill, Eckhard
2004-08-23
The trinuclear Cu(II) complex [(talen)Cu(II)(3)] (1) using the new triplesalen ligand H(6)talen has been synthesized and structurally characterized. The three Cu(II) ions are bridged in a m-phenylene linkage by the phloroglucinol backbone of the ligand. This m-phenylene bridging mode results in ferromagnetic couplings with an S(t) = (3)/(2) spin ground state, which has been analyzed by means of EPR spectroscopy and DFT calculations. The EPR spectrum exhibits an unprecedented pattern of 10 hyperfine lines due to the coupling of three Cu(II) ions (I = (3)/(2)). Resonances around g = 4 in both perpendicular and parallel mode EPR spectra demonstrate a zero-field splitting of D approximately 74 x 10(-4) cm(-1) arising from anisotropic/antisymmetric exchange interactions. The DFT calculations show an alteration in the sign of the spin densities of the central benzene ring corroborating the spin-polarization mechanism as origin for the ferromagnetic coupling.
Trabert, E; Beiersdorfer, P; Brown, G V; Boyce, K; Kelley, R L; Kilbourne, C A; Porter, F S; Szymkowiak, A
2005-11-11
A microcalorimeter with event mode capability for time-resolved soft-x-ray spectroscopy, and a high-resolution flat-field EUV spectrometer have been employed at the Livermore EBIT-I electron beam ion trap for observations and wavelength measurements of M1, E2, and M3 decays of long-lived levels in the Ni-like ions Xe{sup 26+}, Cs{sup 27+}, and Ba{sup 28+}. Of particular interest is the lowest excited level, 3d{sup 9}4s {sup 3}D{sub 3}, which can only decay via a magnetic octupole (M3) transition. For this level in Xe an excitation energy of (590.40 {+-} 0.03eV) and a level lifetime of (11.5 {+-} 0.5 ms) have been determined.
Majorana bound state in a coupled quantum-dot hybrid-nanowire system.
Deng, M T; Vaitiekėnas, S; Hansen, E B; Danon, J; Leijnse, M; Flensberg, K; Nygård, J; Krogstrup, P; Marcus, C M
2016-12-23
Hybrid nanowires combining semiconductor and superconductor materials appear well suited for the creation, detection, and control of Majorana bound states (MBSs). We demonstrate the emergence of MBSs from coalescing Andreev bound states (ABSs) in a hybrid InAs nanowire with epitaxial Al, using a quantum dot at the end of the nanowire as a spectrometer. Electrostatic gating tuned the nanowire density to a regime of one or a few ABSs. In an applied axial magnetic field, a topological phase emerges in which ABSs move to zero energy and remain there, forming MBSs. We observed hybridization of the MBS with the end-dot bound state, which is in agreement with a numerical model. The ABS/MBS spectra provide parameters that are useful for understanding topological superconductivity in this system.
Majorana bound state in a coupled quantum-dot hybrid-nanowire system
NASA Astrophysics Data System (ADS)
Deng, M. T.; Vaitiekėnas, S.; Hansen, E. B.; Danon, J.; Leijnse, M.; Flensberg, K.; Nygård, J.; Krogstrup, P.; Marcus, C. M.
2016-12-01
Hybrid nanowires combining semiconductor and superconductor materials appear well suited for the creation, detection, and control of Majorana bound states (MBSs). We demonstrate the emergence of MBSs from coalescing Andreev bound states (ABSs) in a hybrid InAs nanowire with epitaxial Al, using a quantum dot at the end of the nanowire as a spectrometer. Electrostatic gating tuned the nanowire density to a regime of one or a few ABSs. In an applied axial magnetic field, a topological phase emerges in which ABSs move to zero energy and remain there, forming MBSs. We observed hybridization of the MBS with the end-dot bound state, which is in agreement with a numerical model. The ABS/MBS spectra provide parameters that are useful for understanding topological superconductivity in this system.
Equilibrium states of a test particle coupled to finite-size heat baths.
Wei, Qun; Smith, S Taylor; Onofrio, Roberto
2009-03-01
We report on numerical simulations of the dynamics of a test particle coupled to competing Boltzmann heat baths of finite size. After discussing some features of the single bath case, we show that the presence of two heat baths further constrains the conditions necessary for the test particle to thermalize with the heat baths. We find that thermalization is a spectral property in which the oscillators of the bath with frequencies in the range of the test particle characteristic frequency determine its degree of thermalization. We also find an unexpected frequency shift of the test particle response with respect to the spectra of the two heat baths. Finally, we discuss implications of our results for the study of high-frequency nanomechanical resonators through cold damping cooling techniques and for engineering reservoirs capable of mitigating the back action on a mechanical system.
Van der Waals-coupled electronic states in incommensurate double-walled carbon nanotubes
NASA Astrophysics Data System (ADS)
Liu, Kaihui; Jin, Chenhao; Hong, Xiaoping; Kim, Jihoon; Zettl, Alex; Wang, Enge; Wang, Feng
2014-10-01
Non-commensurate two-dimensional materials such as a twisted graphene bilayer or graphene on boron nitride, consisting of components that have no finite common unit cell, exhibit emerging moiré physics such as novel Van Hove singularities, Fermi velocity renormalization, mini Dirac points and Hofstadter butterflies. Here we use double-walled carbon nanotubes as a model system for probing moiré physics in incommensurate one-dimensional systems, by combining structural and optical characterizations. We show that electron wavefunctions between incommensurate inner- and outer-wall nanotubes can hybridize strongly, contrary to the conventional wisdom of negligible electron hybridization due to destructive interference. The chirality-dependent inter-tube electronic coupling is described by one-dimensional zone folding of the electronic structure of twisted-and-stretched graphene bilayers. Our results demonstrate that incommensurate van der Waals interactions can be important for engineering the electronic structure and optical properties of one-dimensional materials.
Weakly coupled bound state of 2-D Schrödinger operator with potential-measure.
Kondej, Sylwia; Lotoreichik, Vladimir
2014-12-15
We consider a self-adjoint two-dimensional Schrödinger operator [Formula: see text], which corresponds to the formal differential expression[Formula: see text] where μ is a finite compactly supported positive Radon measure on [Formula: see text] from the generalized Kato class and [Formula: see text] is the coupling constant. It was proven earlier that [Formula: see text]. We show that for sufficiently small α the condition [Formula: see text] holds and that the corresponding unique eigenvalue has the asymptotic expansion[Formula: see text] with a certain constant [Formula: see text]. We also obtain a formula for the computation of [Formula: see text]. The asymptotic expansion of the corresponding eigenfunction is provided. The statements of this paper extend the results of Simon [41] to the case of potentials-measures. Also for regular potentials our results are partially new.
NASA Astrophysics Data System (ADS)
Nana, B.; Woafo, P.
2011-04-01
Data encryption has become increasingly important for many applications including phone, internet and satellite communications. Considering the desirable properties of ergodicity and high sensitivity to initial conditions and control parameters, chaotic signals are suitable for encryption systems. Chaotic encryption systems generally have high speed with low cost, which makes them better candidates than many traditional ciphers for multimedia data encryption. In this paper, analytical and numerical methods as well as experimental implementation are used to prove partial and complete synchronized states in a ring of four autonomous oscillators in their chaotic states. Application to secure communication is discussed.
Ultrafast Excited State Dynamics in Molecular Motors: Coupling of Motor Length to Medium Viscosity.
Conyard, Jamie; Stacko, Peter; Chen, Jiawen; McDonagh, Sophie; Hall, Christopher R; Laptenok, Sergey P; Browne, Wesley R; Feringa, Ben L; Meech, Stephen R
2017-03-07
Photochemically driven molecular motors convert the energy of incident radiation to intramolecular rotational motion. The motor molecules considered here execute four step unidirectional rotational motion. This comprises a pair of successive light induced isomerizations to a metastable state followed by thermal helix inversions. The internal rotation of a large molecular unit required in these steps is expected to be sensitive to both the viscosity of the medium and the volume of the rotating unit. In this work, we describe a study of motor motion in both ground and excited states as a function of the size of the rotating units. The excited state decay is ultrafast, highly non-single exponential, and is best described by a sum of three exponential relaxation components. The average excited state decay time observed for a series of motors with substituents of increasing volume was determined. While substitution does affect the lifetime, the size of the substituent has only a minor effect. The solvent polarity dependence is also slight, but there is a significant solvent viscosity effect. Increasing the viscosity has no effect on the fastest of the three decay components, but it does lengthen the two slower decay times, consistent with them being associated with motion along an intramolecular coordinate displacing a large solvent volume. However, these slower relaxation times are again not a function of the size of the substituent. We conclude that excited state decay arises from motion along a coordinate which does not necessarily require complete rotation of the substituents through the solvent, but is instead more localized in the core structure of the motor. The decay of the metastable state to the ground state through a helix inversion occurs 14 orders of magnitude more slowly than the excited state decay, and was measured as a function of substituent size, solvent viscosity and temperature. In this case neither substituent size nor solvent viscosity influences
Touge, Hirokazu; Chikumi, Hiroki; Igishi, Tadashi; Kurai, Jun; Makino, Haruhiko; Tamura, Yoshisato; Takata, Miyako; Yoneda, Kazuhiko; Nakamoto, Masaki; Suyama, Hisashi; Gutkind, J Silvio; Shimizu, Eiji
2007-03-01
Rho GTPases play an essential role in the control of various cellular functions. Accumulating evidence suggests that RhoA overexpression contributes to human cancer development. However, the activation states of RhoA are poorly defined in cancer cells. In this study, we examined both the expression levels and the activation states of RhoA in various lung cancer cells by quantitative real-time reverse transcriptase-polymerase chain reaction and in vivo Rho guanine nucleotide exchange assay, respectively. Moreover, we dissected the signaling pathway from the cell surface receptors to RhoA using a broad-spectrum G protein coupled receptor (GPCR) antagonist, [D-Arg1,D-Trp5,7,9,Leu11]Substance P (SP), and a recently reported Galphaq/11-selective inhibitor, YM-254890. We found that RhoA was expressed highly in large cell carcinoma cells but only weakly in adenocarcinoma cells. The activation states of RhoA are considerably different from its expression profiles. We found that four of six small cell lung carcinoma (SCLC) cell lines exhibited a moderate to high activation rate of RhoA. The addition of [D-Arg1,D-Trp5,7,9,Leu11]SP reduced RhoA activity by almost 60% in H69 SCLC cells. The addition of YM-254890 had no effect on RhoA activity in H69 cells. Our results suggest that RhoA is activated in various lung cancer cells independent of its expression levels, and the high activation state of RhoA in SCLC cells mainly depends on a neuroendocrine peptide autocrine system which signals through Galpha12 coupled GPCR to RhoA. This study provides new insights into RhoA signaling in lung cancer cells and may help in developing novel therapeutic strategies against lung cancer.
Interracial Couples in the United States of America: Implications for Mental Health Counseling.
ERIC Educational Resources Information Center
Solsberry, Priscilla Wilson
1994-01-01
Reviews the historical antecedents of interracial relationships in the United States, gives information regarding those who participate in these relationships, and examines society's reaction to their occurrence. Focuses on relationships involving African Americans and European Americans. Discusses issues, interventions, and support groups. (JBJ)
Ligation-state hydrogen exchange: coupled binding and folding equilibria in ribonuclease P protein.
Henkels, Christopher H; Oas, Terrence G
2006-06-21
Bacillus subtilis ribonuclease P protein (P protein) is predominantly unfolded (D) at physiological pH and low ionic strength; however, small molecule anionic ligands (e.g., sulfate) directly bind to and stabilize the folded state (NL2). Because the D + 2L <--> NL2 transition is experimentally two-state, high-energy states such as the singly bound, folded species (NL) and the unliganded folded species (N) are generally difficult to detect at equilibrium. To study the conformational properties of these ensembles, NMR-detected amide hydrogen exchange (HX) rates of P protein were measured at four sulfate (i.e., ligand) concentrations, a method we denote "ligation-state hydrogen exchange". The ligand concentration dependence of the HX rate of 47 residues was fit to a model with four possible HX pathways, corresponding to the local and/or global opening reactions from NL2 and NL, the local opening of N, and the global opening of N to D. Data analysis permits the calculation of the residue-specific free energy of opening from each ensemble as well as the fractional amide HX flux through each pathway. Results indicate that the predominant route of HX is through the NL and N states, which represent only 0.45% and 0.0005% of the total protein population in 20 mM sodium sulfate, respectively. Despite the low population of N, a region of protected amides was identified. Therefore, exchange through unliganded forms must be accounted for prior to the interpretation of HX-based protein-interaction studies. We offer a simple test to determine if HX occurs through the liganded or unliganded form.
Sen, Sangita; Shee, Avijit; Mukherjee, Debashis
2012-08-21
The traditional state universal multi-reference coupled cluster (SUMRCC) theory uses the Jeziorski-Monkhorst (JM) based Ansatz of the wave operator: Ω = Σ(μ)Ω(μ)|φ(μ)><φ(μ)|, where Ω(μ) = exp(T(μ)) is the cluster representation of the component of Ω inducing virtual excitations from the model function φ(μ). In the first formulations, φ(μ)s were chosen to be single determinants and T(μ)s were defined in terms of spinorbitals. This leads to spin-contamination for the non-singlet cases. In this paper, we propose and implement an explicitly spin-free realization of the SUMRCC theory. This method uses spin-free unitary generators in defining the cluster operators, {T(μ)}, which even at singles-doubles truncation, generates non-commuting cluster operators. We propose the use of normal-ordered exponential parameterization for Ω:Σ(μ){exp(T(μ))}|φ(μ)><φ(μ)|, where {} denotes the normal ordering with respect to a common closed shell vacuum which makes the "direct term" of the SUMRCC equations terminate at the quartic power. We choose our model functions {φ(μ)} as unitary group adapted (UGA) Gel'fand states which is why we call our theory UGA-SUMRCC. In the spirit of the original SUMRCC, we choose exactly the right number of linearly independent cluster operators in {T(μ)} such that no redundancies in the virtual functions {χ(μ)(l)} are involved. Using example applications for electron detached/attached and h-p excited states relative to a closed shell ground state we discuss how to choose the most compact and non-redundant cluster operators. Although there exists a more elaborate spin-adapted JM-like ansatz of Datta and Mukherjee (known as combinatoric open-shell CC (COS-CC), its working equations are more complex. Results are compared with those from COS-CC, equation of motion coupled cluster methods, restricted open-shell Hartree-Fock coupled cluster, and full configuration interaction. We observe that our results are more accurate with
NASA Astrophysics Data System (ADS)
Melnik, Dmitry G.; Miller, Terry A.; Liu, Jinjun
2013-06-01
Isopropoxy radicals are reactive intermediates in atmospheric and combustion chemistry. From the theoretical point of view, they represent an extreme case of ``isotopically'' substituted methoxy radicals with two methyl groups playing the role of heavy hydrogen isotopes. Previously the rotationally resolved spectra of ˜{B}^2A' ← ˜{X}^2A' electronic transition were successfully analyzed using a simple effective rotational Hamiltonian of the isolated ˜{X} and ˜{B} states. However, a number of the experimentally determined parameters appeared dramatically inconsistent with the quantum chemistry calculations and theoretical predictions based on the symmetry arguments. Recently, we analyzed these spectra using a coupled two state model, which explicitly includes interactions between the ground ˜{X}^2A' state and low-lying excited ˜{A}^2A^'' state. In this presentation we will discuss the results of this analysis and compare the parameters of both models and their physical significance. D. G. Melnik, T. A. Miller and J. Liu, TI15, 67^{th Molecular Spectroscopy Symposium}, Columbus, 2012
Zhou, Miao; Ming, Wenmei; Liu, Zheng; ...
2014-11-19
For potential applications in spintronics and quantum computing, it is desirable to place a quantum spin Hall insulator [i.e., a 2D topological insulator (TI)] on a substrate while maintaining a large energy gap. Here, we demonstrate a unique approach to create the large-gap 2D TI state on a semiconductor surface, based on first-principles calculations and effective Hamiltonian analysis. We show that when heavy elements with strong spin orbit coupling (SOC) such as Bi and Pb atoms are deposited on a patterned H-Si(111) surface into a hexagonal lattice, they exhibit a 2D TI state with a large energy gap of ≥0.5more » eV. The TI state arises from an intriguing substrate orbital filtering effect that selects a suitable orbital composition around the Fermi level, so that the system can be matched onto a four-band effective model Hamiltonian. Furthermore, it is found that within this model, the SOC gap does not increase monotonically with the increasing strength of SOC. These interesting results may shed new light in future design and fabrication of large-gap topological quantum states.« less
Zhou, Miao; Ming, Wenmei; Liu, Zheng; Wang, Zhengfei; Yao, Yugui; Liu, Feng
2014-11-19
For potential applications in spintronics and quantum computing, it is desirable to place a quantum spin Hall insulator [i.e., a 2D topological insulator (TI)] on a substrate while maintaining a large energy gap. Here, we demonstrate a unique approach to create the large-gap 2D TI state on a semiconductor surface, based on first-principles calculations and effective Hamiltonian analysis. We show that when heavy elements with strong spin orbit coupling (SOC) such as Bi and Pb atoms are deposited on a patterned H-Si(111) surface into a hexagonal lattice, they exhibit a 2D TI state with a large energy gap of ≥0.5 eV. The TI state arises from an intriguing substrate orbital filtering effect that selects a suitable orbital composition around the Fermi level, so that the system can be matched onto a four-band effective model Hamiltonian. Furthermore, it is found that within this model, the SOC gap does not increase monotonically with the increasing strength of SOC. These interesting results may shed new light in future design and fabrication of large-gap topological quantum states.
Banik, Subrata; Ravichandran, Lalitha; Brabec, Jiri; Hubac, Ivan; Kowalski, Karol; Pittner, Jiri
2015-03-21
As a further development of the previously introduced a posteriori Universal State-Selective (USS) corrections [K. Kowalski, J. Chem. Phys. 134, 194107 (2011)] and [Brabec et al., J. Chem. Phys., 136, 124102 (2012)], we suggest an iterative form of the USS correction by means of correcting effective Hamiltonian matrix elements. We also formulate USS corrections via the left Bloch equations. The convergence of the USS corrections with excitation level towards the FCI limit is also investigated. Various forms of the USS and simplified diagonal USSD corrections at the SD and SD(T) levels are numerically assessed on several model systems and on the ozone and tetramethyleneethane molecules. It is shown that the iterative USS correction can successfully replace the previously developed a posteriori BWCC size-extensivity correction, while it is not sensitive to intruder states and performs well also in other cases when the a posteriori one fails, like e.g. for the asymmetric vibration mode of ozone.
Virtual charge state separator as an advanced tool coupling measurements and simulations
NASA Astrophysics Data System (ADS)
Yaramyshev, S.; Vormann, H.; Adonin, A.; Barth, W.; Dahl, L.; Gerhard, P.; Groening, L.; Hollinger, R.; Maier, M.; Mickat, S.; Orzhekhovskaya, A.
2015-05-01
A new low energy beam transport for a multicharge uranium beam will be built at the GSI High Current Injector (HSI). All uranium charge states coming from the new ion source will be injected into GSI heavy ion high current HSI Radio Frequency Quadrupole (RFQ), but only the design ions U4 + will be accelerated to the final RFQ energy. A detailed knowledge about injected beam current and emittance for pure design U4 + ions is necessary for a proper beam line design commissioning and operation, while measurements are possible only for a full beam including all charge states. Detailed measurements of the beam current and emittance are performed behind the first quadrupole triplet of the beam line. A dedicated algorithm, based on a combination of measurements and the results of advanced beam dynamics simulations, provides for an extraction of beam current and emittance values for only the U4 + component of the beam. The proposed methods and obtained results are presented.
Non-Abelian S U (N -1 ) -singlet fractional quantum Hall states from coupled wires
NASA Astrophysics Data System (ADS)
Fuji, Y.; Lecheminant, P.
2017-03-01
The construction of fractional quantum Hall (FQH) states from the two-dimensional array of quantum wires provides a useful way to control strong interactions in microscopic models and has been successfully applied to the Laughlin, Moore-Read, and Read-Rezayi states. We extend this construction to the Abelian and non-Abelian S U (N -1 ) -singlet FQH states at filling fraction ν =k (N -1 )/[N +k (N -1 )m ] labeled by integers k and m , which are potentially realized in multicomponent quantum Hall systems or S U (N ) spin systems. Utilizing the bosonization approach and conformal field theory (CFT), we show that their bulk quasiparticles and gapless edge excitations are both described by an (N -1 ) -component free-boson CFT and the S U (N) k/[U(1 ) ] N -1 CFT known as the Gepner parafermion. Their generalization to different filling fractions is also proposed. In addition, we argue possible applications of these results to two kinds of lattice systems: bosons interacting via occupation-dependent correlated hoppings and an S U (N ) Heisenberg model.
Solid state power amplifier as 805 MHz master source for the LANSCE coupled-cavity linac
Lyles, J.; Davis, J.
1998-12-31
From 100 to 800 MeV, the Los Alamos Neutron Science Center (LANSCE) proton linac receives RF power from forty-four 1.25 MW klystrons at 805 Megahertz (MHz). A single master RF source provides a continuous high level phase reference signal which drives the klystrons along the 731 meter-long linac through a coaxial transmission line. A single point failure of this system can deenergize the entire coupled-cavity linac (CCL) RF plant. The authors replaced a physically large air-cooled tetrode amplifier with a compact water-cooled unit based on modular amplifier pallets developed at LANSCE. Each 600 Watt pallet utilizes eight push-pull bipolar power transistor pairs operated in class AB. Four of these can easily provide the 2000 watt reference carrier from the stable master RF source. A radial splitter and combiner parallels the modules. This amplifier has proven to be completely reliable after two years of operation without failure. A second unit was constructed and installed for redundancy, and the old tetrode system was removed in 1998. The compact packaging for cooling, DC power, impedance matching, RF interconnection, and power combining met the electrical and mechanical requirements. CRT display of individual collector currents and RF levels is made possible with built-in samplers and a VXI data acquisition unit.
Weakly coupled bound state of 2-D Schrödinger operator with potential-measure
Kondej, Sylwia; Lotoreichik, Vladimir
2014-01-01
We consider a self-adjoint two-dimensional Schrödinger operator Hαμ, which corresponds to the formal differential expression−Δ−αμ, where μ is a finite compactly supported positive Radon measure on R2 from the generalized Kato class and α>0 is the coupling constant. It was proven earlier that σess(Hαμ)=[0,+∞). We show that for sufficiently small α the condition ♯σd(Hαμ)=1 holds and that the corresponding unique eigenvalue has the asymptotic expansionλ(α)=−(Cμ+o(1))exp(−4παμ(R2)),α→0+, with a certain constant Cμ>0. We also obtain a formula for the computation of Cμ. The asymptotic expansion of the corresponding eigenfunction is provided. The statements of this paper extend the results of Simon [41] to the case of potentials-measures. Also for regular potentials our results are partially new. PMID:25843975
NASA Astrophysics Data System (ADS)
Sinha Mahapatra, Uttam; Banerjee, Debi; Chaudhuri, Rajat K.; Chattopadhyay, Sudip
2015-06-01
We present a study on the performance of our iterative triples correction for the coupled cluster singles and doubles excitations (CCSDT-1a+d) method for computation of potential energy surface (PES), spectroscopic constants, and vibrational spectrum for the ground state (X1Σ+) BeMg, where the ostensible inadequacy of the CCSD and CCSD(T) methods is quite expected. We compare our results with those obtained using state-of-the-art multireference configuration interaction (MRCI) investigations reported earlier by Kerkines and Nicolaides. Our estimated dissociation energy (417.37 cm-1), equilibrium distance (3.285 Å), and vibrational frequency (82.32 cm-1) are in good agreement with recent results of advanced MRCI calculations for X1Σ+ BeMg PES, which exhibits a shallow well of 469.4 cm-1 with a minimum at 3.241 Å and a harmonic vibrational frequency of 85.7 cm-1. Very weakly bound nature of X1Σ+ BeMg is clearly reflected from these values. In accord with MRCI studies, a comparison of BeMg with iso-valence weakly bound ground-state species, Be2 and Mg2, suggests that its characteristics do not exhibit any resemblance to Be2 rather, it shows a close kinship to Mg2. The agreement of our derived vibrational levels with those obtained via the high-level MRCI calculations is very encouraging reflecting the potential of the suitably modified single-reference coupled cluster (SRCC) method, CCSDT-1a+d as a tool for the study of multireference van der Waals systems.
NASA Astrophysics Data System (ADS)
Ivanov, V.; Samokhin, A.; Danicheva, I.; Khrennikov, N.; Bouscuet, J.; Velkov, K.; Pasichnyk, I.
2017-01-01
In this paper the approaches used for developing of the BN-800 reactor test model and for validation of coupled neutron-physic and thermohydraulic calculations are described. Coupled codes ATHLET 3.0 (code for thermohydraulic calculations of reactor transients) and DYN3D (3-dimensional code of neutron kinetics) are used for calculations. The main calculation results of reactor steady state condition are provided. 3-D model used for neutron calculations was developed for start reactor BN-800 load. The homogeneous approach is used for description of reactor assemblies. Along with main simplifications, the main reactor BN-800 core zones are described (LEZ, MEZ, HEZ, MOX, blankets). The 3D neutron physics calculations were provided with 28-group library, which is based on estimated nuclear data ENDF/B-7.0. Neutron SCALE code was used for preparation of group constants. Nodalization hydraulic model has boundary conditions by coolant mass-flow rate for core inlet part, by pressure and enthalpy for core outlet part, which can be chosen depending on reactor state. Core inlet and outlet temperatures were chosen according to reactor nominal state. The coolant mass flow rate profiling through the core is based on reactor power distribution. The test thermohydraulic calculations made with using of developed model showed acceptable results in coolant mass flow rate distribution through the reactor core and in axial temperature and pressure distribution. The developed model will be upgraded in future for different transient analysis in metal-cooled fast reactors of BN type including reactivity transients (control rods withdrawal, stop of the main circulation pump, etc.).
Propagation of coupled dark-state polaritons and storage of light in a tripod medium
NASA Astrophysics Data System (ADS)
Beck, Stefan; Mazets, Igor E.
2017-01-01
We consider slow-light propagation in an atomic medium with a tripod level scheme. We show that the coexistence of two types of dark-state polaritons leads to the propagation dynamics, which is qualitatively different from that in a Λ medium, and allows therefore for very efficient conversion of signal photons into spin excitations. This efficiency is shown to be very close to 1 even for very long signal light pulses, which could not be entirely compressed into a Λ medium at a comparable strength of the control field.
A tunable waveguide-coupled cavity design for scalable interfaces to solid-state quantum emitters
NASA Astrophysics Data System (ADS)
Mouradian, Sara L.; Englund, Dirk
2017-04-01
Photonic nanocavities in diamond have emerged as useful structures for interfacing photons and embedded atomic color centers, such as the nitrogen vacancy center. Here, we present a hybrid nanocavity design that enables (i) a loaded quality factor exceeding 50 000 (unloaded Q >106 ) with 75% of the enhanced emission collected into an underlying waveguide circuit, (ii) MEMS-based cavity spectral tuning without straining the diamond, and (iii) the use of a diamond waveguide with straight sidewalls to minimize surface defects and charge traps. This system addresses the need for scalable on-chip photonic interfaces to solid-state quantum emitters.
Variable Charge State Impurities in Coupled Kinetic Plasma-Kinetic Neutral Transport Simulations
NASA Astrophysics Data System (ADS)
Stotler, D. P.; Hager, R.; Kim, K.; Koskela, T.; Park, G.
2015-11-01
A previous version of the XGC0 neoclassical particle transport code with two fully stripped impurity species was used to study kinetic neoclassical transport in the DIII-D H-mode pedestal. To properly simulate impurities in the scrape-off layer and divertor and to account for radiative cooling, however, the impurity charge state distributions must evolve as the particles are transported into regions of different electron temperatures and densities. To do this, the charge state of each particle in XGC0 is included as a parameter in the list that represents the particle's location in phase space. Impurity ionizations and recombinations are handled with a dedicated collision routine. The associated radiative cooling is accumulated during the process and applied to the electron population later in the time step. The density profiles of the neutral impurities are simulated with the DEGAS 2 neutral transport code and then used as a background for electron impact ionization in XGC0 via a test particle Monte Carlo method analogous to that used for deuterium. This work supported by US DOE contracts DE-AC02-09CH11466.
Meng, Hong; Perepichka, Dmitrii F; Bendikov, Michael; Wudl, Fred; Pan, Grant Z; Yu, Wenjiang; Dong, Wenjian; Brown, Stuart
2003-12-10
Prolonged storage ( approximately 2 years) or gentle heating (50-80 degrees C) of crystalline 2,5-dibromo-3,4-ethylenedioxythiophene (DBEDOT) affords a highly conducting, bromine-doped poly(3,4-ethylenedioxythiophene) (PEDOT), as confirmed by solid-state NMR, FTIR, CV, and vis-NIR spectroscopies. The novel solid-state polymerization (SSP) does not occur for 2,5-dichloro-3,4-ethylenedioxythiophene (DCEDOT), and requires a much higher temperature (>130 degrees C) for 2,5-diiodo-3,4-ethylenedioxythiophene (DIEDOT). X-ray structural analysis of the above dihalothiophenes reveals short Hal.Hal distances between adjacent molecules in DBEDOT and DIEDOT, but not in DCEDOT. The polymerization may also occur in the melt but is significantly slower and leads to poorly conductive material. Detailed studies of the reaction were performed using ESR, DSC, microscopy, and gravimetric analyses. SSP starts on crystal defect sites; it is exothermic by 14 kcal/mol and requires activation energy of approximately 26 kcal/mol (for DBEDOT). The temperature dependence of the conductivity of SSP-PEDOT (sigma(rt) = 20-80 S/cm) reveals a slight thermal activation. It can be further increased by a factor of 2 by doping with iodine. Using this approach, thin films of PEDOT with conductivity as high as 20 S/cm were fabricated on insulating flexible plastic surfaces.
NASA Astrophysics Data System (ADS)
Pavlovich, V. S.
2006-05-01
A detailed derivation is presented for relations making it possible to describe the effect of temperature on the halfwidth of the P960 and P870 absorption bands and also on the electron transfer (ET) rate at reaction centers (RCs) of the purple bacteria Rps. viridis and Rb. sphaeroides. Primary electron transfer is considered as a resonant nonradiative transition between P* and P+B
Siletsky, S; Kaulen, A D; Konstantinov, A A
1999-04-13
Charge translocation across the membrane coupled to transfer of the third electron in the reaction cycle of bovine cytochrome c oxidase (COX) has been studied. Flash-induced reduction of the peroxy intermediate (P) to the ferryl-oxo state (F) by tris-bipyridyl complex of Ru(II) in liposome-reconstituted COX is coupled to several phases of membrane potential generation that have been time-resolved with the use of an electrometric technique applied earlier in the studies of the ferryl-oxo-to-oxidized (F --> O) transition of the enzyme [Zaslavsky, D., et al. (1993) FEBS Lett. 336, 389-393]. As in the case of the F --> O transition, the electric response associated with photoreduction of P to F includes a rapid KCN-insensitive electrogenic phase with a tau of 40-50 microseconds (reduction of heme a by CuA) and a multiphasic slower part; this part is cyanide-sensitive and is assigned to vectorial transfer of protons coupled to reduction of oxygen intermediate in the binuclear center. The net KCN-sensitive phase of the response is approximately 4-fold more electrogenic than the rapid phase, which is similar to the characteristics of the F --> O electrogenic transition and is consistent with net transmembrane translocation of two protons per electron, including vectorial movement of both "chemical" and "pumped" protons. The protonic part of the P --> F electric response is faster than in the F --> O transition and can be deconvoluted into three exponential phases with tau values varying for different samples in the range of 0.25-0.33, 1-1.5, and 6-7.5 ms at pH 8. Of these three phases, the 1-1.5 ms component is the major one contributing 50-60%. The P --> F conversion induced by single electron photoreduction of the peroxy state as studied in this work is several times slower than the P --> F transition resolved during oxidation of the fully reduced oxidase by molecular oxygen. The role of the CuB redox state in controlling the rate of P --> F conversion of heme a3 is
NASA Astrophysics Data System (ADS)
Chen, Shyh-Chin; Trenberth, Kevin E.
1988-02-01
A planetary wave model has been developed in which the orographic forcing at the lower boundary arising from the kinematically induced vertical motion is due to the total flow impinging on the mountains rather than just the zonal mean basic state component of the flow over the mountains used in previous models. Consequently, the effects of the vertical motions produced by the eddies at the lower boundary are included and are found to be as large, if not larger, than the zonal mean component. The model remains linear mathematically, but all the planetary waves become coupled through the lower boundary condition (LBC) and the model wave equations have to be solved for simultaneously. A contrast is drawn between the wave-coupled solutions and the solutions using the traditional lower boundary formulation in which the planetary waves are decoupled.The model is symmetric about the equator and uses the linear balance set of equations on the sphere, with full spherical geometry and spherical harmonic function representation, truncated to include four zonal modes and up to mode 15 in the meridional direction. There are 11 levels in the vertical with the highest computational level at 5 mb. The model is linearized about a realistic observed January zonal-mean basic state and forced by the Northern Hemisphere orography and a wintertime calculated diabatic heating. In this paper, diabatic heating effects are not included and only the impact of the new LBC is examined in detail.The wave-coupled LBC has significant impact on the forced planetary waves and consequently on the Eliassen-Palm fluxes. The most noticeable responses of the planetary waves at the boundary when the wave-coupled LBC is used are in the vicinity of the Himalayas. The boundary eddies set up perturbation easterlies that locally offset the imposed zonal mean westerlies by forcing the flow to go around the mountains. Thus the wave-coupled LBC allows the total flow at the lower boundary to circumvent the
Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries
NASA Astrophysics Data System (ADS)
De Giovannini, Umberto; Larsen, Ask Hjorth; Rubio, Angel
2015-03-01
Absorbing boundaries are frequently employed in real-time propagation of the Schrödinger equation to remove spurious reflections and efficiently emulate outgoing boundary conditions. These conditions are a fundamental ingredient for the calculation of observables involving infinitely extended continuum states in finite volumes. In the literature, several boundary absorbers have been proposed. They mostly fall into three main families: mask function absorbers, complex absorbing potentials, and exterior complex-scaled potentials. To date none of the proposed absorbers is perfect, and all present a certain degree of reflections. Characterization of such reflections is thus a critical task with strong implications for time-dependent simulations of atoms and molecules. We introduce a method to evaluate the reflection properties of a given absorber and present a comparison of selected samples for each family of absorbers. Further, we discuss the connections between members of each family and show how the same reflection curves can be obtained with very different absorption schemes.
The effect of spin-orbit coupling in band structure and edge states of bilayer graphene
Sahdan, Muhammad Fauzi; Darma, Yudi
2015-04-16
Topological insulators are predicted to be useful ranging from spintronics to quantum computation. Graphene was first predicted to be the precursor of topological insulator by Kane-Mele. They developed a Hamiltonian model to describe the gap opening in graphene. In this work, we investigate the band structure of bilayer grapheme and also its edge states by using this model with analytical approach. The results of our calculation show that the gap opening occurs at K and K’ point in bilayer graphene.In addition, a pair of gapless edge modes occurs both in the zigzag and arm-chair configurations are no longer exist. There are gap created at the edge even though thery are very small.
Kinematics of the CS method for the treatment of molecular collisions. [Coupled State
NASA Technical Reports Server (NTRS)
Hahne, G. E.
1984-01-01
The problem of the quantum treatment of nonreactive collisions of two simple molecules or of an atom and a molecule is considered mathematically. Kinematical structure theorems analogous to the Wigner-Eckart theorem for scalar operators are derived for the transition operator (T-operator) of a two-molecule system, where, in addition to the usual conservation laws, certain additional conservation laws are presumed satisfied in a collision. The additional conservation laws were examined in order to develop a testable approximation scheme (CS method) for the specification of the kinematics of a system of two rigid diatomic molecules. The rand p-helicity basis states for a two-rigid rotor system are defined and unitary transformations established between these and conventional bases. It is found that only questionable criteria exist for testing the on-the-energy-shell matrix of a T(energy) operator for the presence of properties of two of the additional conservation laws.
Gohel, Bakul; Lim, Sanghyun; Kim, Min-Young; An, Kyung-min; Kim, Ji-Eun; Kwon, Hyukchan; Kim, Kiwoong
2016-01-01
Phase-amplitude coupling (PAC) plays an important role in neural communication and computation. Interestingly, recent studies have indicated the presence of ubiquitous PAC phenomenon even during the resting state. Despite the importance of PAC phenomenon, estimation of significant physiological PAC is challenging because of the lack of appropriate surrogate measures to control false positives caused by non-physiological PAC. Therefore, in the present study, we evaluated PAC phenomenon during resting-state magnetoencephalography (MEG) signal and considered various surrogate measures and computational approaches widely used in the literature in addition to proposing new ones. We evaluated PAC phenomenon over the entire length of the MEG signal and for multiple shorter time segments. The results indicate that the extent of PAC phenomenon mainly depends on the surrogate measures and PAC computational methods used, as well as the evaluation approach. After a careful and critical evaluation, we found that resting-state MEG signals failed to exhibit ubiquitous PAC phenomenon, contrary to what has been suggested previously. PMID:27932971
Kjaerulff, Louise; Benie, Andrew J; Hoeck, Casper; Gotfredsen, Charlotte H; Sørensen, Ole W
2016-02-01
A novel method, Spin-State-Selective (S(3)) HMBC, for accurate measurement of homonuclear coupling constants is introduced. As characteristic for S(3) techniques, S(3) HMBC yields independent subspectra corresponding to particular passive spin states and thus allows determination of coupling constants between detected spins and homonuclear coupling partners along with relative signs. In the presented S(3) HMBC experiment, spin-state selection occurs via large one-bond coupling constants ensuring high editing accuracy and unequivocal sign determination of the homonuclear long-range relative to the associated one-bond coupling constant. The sensitivity of the new experiment is comparable to that of regular edited HMBC and the accuracy of the J/RDC measurement is as usual for E.COSY and S(3)-type experiments independent of the size of the homonuclear coupling constant of interest. The merits of the method are demonstrated by an application to strychnine where thirteen J(HH) coupling constants not previously reported could be measured.
NASA Astrophysics Data System (ADS)
Bai, Xu-Fang; Xin, Wei; Yin, Hong-Wu; Eerdunchaolu
2017-02-01
The properties of the ground state of bipolarons with Rashba spin-orbit (SO) coupling in a quantum dot (QD) are studied by using the Lee-Low-Pines-Tokuda variational method. The results of numerical calculation indicate that the condition to form the stable bipolaron structure in the QD (binding energy E b > 0) is naturally satisfied with the electron-phonon strong coupling (coupling constant α > 6). The binding energy of bipolarons E b increases with the increase of the confinement strength ω 0 of the QD, electron-phonon coupling strength α, Coulomb bound potential β and velocity u of polarons. The ground energy of bipolarons E splits into E(+) and E(-), corresponding to spin both "up" and both "down" of two electrons, respectively, and | {E(-)} |>| {E(+)} |. The grouenergy of bipolarons E in the QD is composed of the electron-phonon coupling energy E e-ph, confinement potential of the QD E couf, Coulomb energy between two electrons E coul and Rashba SO coupling energy E SO. E e-ph is always negative and plays a dominant role. The weights of E coul and E couf are only next to E e-ph. Though the weight of the Rashba SO coupling energy E SO is the smallest one, it can influence other parts of the ground-state energy through interacting with the phonon. Therefore, the bipolaron effect and Rashba SO coupling must not be ignored when investigating the QD.
NASA Technical Reports Server (NTRS)
Gray, Carl E., Jr.
1988-01-01
Using the Newtonian method, the equations of motion are developed for the coupled bending-torsion steady-state response of beams rotating at constant angular velocity in a fixed plane. The resulting equations are valid to first order strain-displacement relationships for a long beam with all other nonlinear terms retained. In addition, the equations are valid for beams with the mass centroidal axis offset (eccentric) from the elastic axis, nonuniform mass and section properties, and variable twist. The solution of these coupled, nonlinear, nonhomogeneous, differential equations is obtained by modifying a Hunter linear second-order transfer-matrix solution procedure to solve the nonlinear differential equations and programming the solution for a desk-top personal computer. The modified transfer-matrix method was verified by comparing the solution for a rotating beam with a geometric, nonlinear, finite-element computer code solution; and for a simple rotating beam problem, the modified method demonstrated a significant advantage over the finite-element solution in accuracy, ease of solution, and actual computer processing time required to effect a solution.
Schrottke, Stefanie; Kaiser, Anette; Vortmeier, Gerrit; Els-Heindl, Sylvia; Worm, Dennis; Bosse, Mathias; Schmidt, Peter; Scheidt, Holger A.; Beck-Sickinger, Annette G.; Huster, Daniel
2017-01-01
The expression, functional reconstitution and first NMR characterization of the human growth hormone secretagogue (GHS) receptor reconstituted into either DMPC or POPC membranes is described. The receptor was expressed in E. coli. refolded, and reconstituted into bilayer membranes. The molecule was characterized by 15N and 13C solid-state NMR spectroscopy in the absence and in the presence of its natural agonist ghrelin or an inverse agonist. Static 15N NMR spectra of the uniformly labeled receptor are indicative of axially symmetric rotational diffusion of the G protein-coupled receptor in the membrane. In addition, about 25% of the 15N sites undergo large amplitude motions giving rise to very narrow spectral components. For an initial quantitative assessment of the receptor mobility, 1H-13C dipolar coupling values, which are scaled by molecular motions, were determined quantitatively. From these values, average order parameters, reporting the motional amplitudes of the individual receptor segments can be derived. Average backbone order parameters were determined with values between 0.56 and 0.69, corresponding to average motional amplitudes of 40–50° of these segments. Differences between the receptor dynamics in DMPC or POPC membranes were within experimental error. Furthermore, agonist or inverse agonist binding only insignificantly influenced the average molecular dynamics of the receptor. PMID:28387359
NASA Astrophysics Data System (ADS)
Peng, Bo; Kowalski, Karol
2016-12-01
In this paper we derive basic properties of the Green's-function matrix elements stemming from the exponential coupled-cluster (CC) parametrization of the ground-state wave function. We demonstrate that all intermediates used to express the retarded (or, equivalently, ionized) part of the Green's function in the ω representation can be expressed only through connected diagrams. Similar properties are also shared by the first-order ω derivative of the retarded part of the CC Green's function. Moreover, the first-order ω derivative of the CC Green's function can be evaluated analytically. This result can be generalized to any order of ω derivatives. Through the Dyson equation, derivatives of the corresponding CC self-energy operator can be evaluated analytically. In analogy to the CC Green's function, the corresponding CC self-energy operator can be represented by connected terms. Our analysis can easily be generalized to the advanced part of the CC Green's function.
Coupled thermo-optical modeling of high power operation of Tm, Ho:YLF solid-state lasers
NASA Astrophysics Data System (ADS)
Louchev, Oleg A.; Urata, Yoshiharu; Saito, Norihito; Wada, Satoshi
2007-06-01
Integrated computational model for operation of co-doped Tm,Ho solid-state lasers is developed coupling (i) 8-level rate equations with (ii) TEM00 laser beam distribution, and (iii) complex heat dissipation model. Simulations done for Q-switched ~0.1 J giant pulse generation by Tm,Ho:YLF laser show that ~43 % of the 780 nm light diode side-pumped energy is directly transformed into the heat inside the crystal, whereas ~45 % is the spontaneously emitted radiation from 3F 4, 5I 7 , 3H 4 and 3H 5 levels. In water-cooled operation this radiation is absorbed inside the thermal boundary layer where the heat transfer is dominated by heat conduction. In high-power operation the resulting temperature increase is shown to lead to (i) significant decrease in giant pulse energy and (ii) thermal lensing.
NASA Astrophysics Data System (ADS)
Sinha Mahapatra, Uttam; Chattopadhyay, Sudip
2011-05-01
Recently, Mukherjee and co-workers (2008 Chem. Phys. 349, 115) have proposed the uncoupled state-specific multireference coupled cluster approach (UC-SSMRCC), attuned particularly for the multireference systems to provide a relaxed description of the nondynamical correlation (stemming from quasidegeneracy) in the presence of dynamical correlation. By invoking an analogue of the anonymous parentage approximation in the coupling terms of the state-specific multireference coupled cluster (SS-MRCC) theory one obtains the UC-SSMRCC method without significantly sacrificing the accuracy and simultaneously retains all the key features of the parent theory. For this very reason the UC-SSMRCC calculations using large basis sets are computationally more feasible even with the inclusion of connected triples than the parent one. As far as our knowledge is concerned, no application of either the parent SS-MRCC or UC-SSMRCC has been reported in weakly bound systems to date. Hence, we have performed a UC-SSMRCC study of a weakly bound dimer (say X1Σ+ Be2) by the singles-, doubles-, triples-1a (SDT-1a) level of approximation. Because of the strong near-degeneracy of 2s and 2p atomic orbitals, X1Σ+ Be2 is a very suitable benchmark problem for quantum chemistry and a critical test for new theoretical methods and procedures. This study reveals that the quality of the description of X1Σ+ Be2 critically depends on the level of truncation of the cluster operators (and also on the choice of basis set) and on a delicately poised treatment of dynamic and nondynamic correlation effects. Our computed spectroscopic constants are in acceptably good agreement with other previously reported current generation correlation recovery theoretical estimates, indicating that the UC-SSMRCC method with SDT-1a is capable of achieving a qualitatively correct description of the X1Σ+ Be2 energy surface even with the smallest reference space. The UC-SSMRCC scheme is also capable of providing estimates with
Modeling Coupled Climate and Urban Land Use Change in the Eastern United States
NASA Astrophysics Data System (ADS)
Melton, F. S.; Goetz, S. J.; Wang, W.; Milesi, C.; Theobald, D. M.; Nemani, R. R.
2010-12-01
Urban land cover and associated impervious surface area are expected to increase by as much as 50% over the next few decades across substantial portions of the coterminous U.S. In combination with urban expansion, increases in temperature and precipitation are expected to impact ecosystems through changes in productivity, disturbance and hydrological properties. In this study, we use land cover predictions from SERGoM through the year 2030 and an ensemble of climate projections (Bias Corrected and Downscaled WCRP CMIP3) for large watersheds of the eastern United States to explore the impacts of urbanization and climate change on hydrologic dynamics (runoff) and vegetation carbon uptake (gross productivity). We use the Terrestrial Observation and Prediction System (TOPS), an ecosystem modeling framework, to simulate the influence of potential adaptation actions associated with land use. We present the modeling approach, and the component and cumulative impacts of climate and land use changes forecast to occur in the region. We also present results from an evaluation of simulated scenarios to characterize the mitigation potential of various best management practices for land use planning, such as urban afforestation and replacement of asphalt with permeable surfaces.
NASA Astrophysics Data System (ADS)
Christlieb, A.; Dharuman, G.; Verboncoeur, J.; Murillo, M. S.
2016-10-01
Modeling high energy-density experiments requires simulations spanning large length and time scales. These non-equilibrium experiments have time evolving ionization and partial degeneracy, obviating the direct use of the time-dependent Schrodinger equation. Therefore, efficient approximate methods are greatly needed. We have examined the accuracy of one such method based on an effective classical-dynamics approach employing effective momentum dependent potentials (MDPs) within a Hamiltonian framework that enables large-scale simulations. We have found that a commonly used formulation, based on Kirschbaum-Wilets MDPs leads to very accurate ground state energies and good first/second-ionization energies. The continuum scattering properties of free electrons were examined by comparing the momentum-transfer cross section (MTCS) predicted by KW MDP to a semi-classical phase-shift calculation. Optimizing the KW MDP parameters for the scattering process yielded poor MTCSs, suggesting a limitation of the use of KW MDP for plasmas. However, our new MDP yields MTCS values in much better agreement than KW MDP.
Closed state-coupled C-type inactivation in BK channels.
Yan, Jiusheng; Li, Qin; Aldrich, Richard W
2016-06-21
Ion channels regulate ion flow by opening and closing their pore gates. K(+) channels commonly possess two pore gates, one at the intracellular end for fast channel activation/deactivation and the other at the selectivity filter for slow C-type inactivation/recovery. The large-conductance calcium-activated potassium (BK) channel lacks a classic intracellular bundle-crossing activation gate and normally show no C-type inactivation. We hypothesized that the BK channel's activation gate may spatially overlap or coexist with the C-type inactivation gate at or near the selectivity filter. We induced C-type inactivation in BK channels and studied the relationship between activation/deactivation and C-type inactivation/recovery. We observed prominent slow C-type inactivation/recovery in BK channels by an extreme low concentration of extracellular K(+) together with a Y294E/K/Q/S or Y279F mutation whose equivalent in Shaker channels (T449E/K/D/Q/S or W434F) caused a greatly accelerated rate of C-type inactivation or constitutive C-inactivation. C-type inactivation in most K(+) channels occurs upon sustained membrane depolarization or channel opening and then recovers during hyperpolarized membrane potentials or channel closure. However, we found that the BK channel C-type inactivation occurred during hyperpolarized membrane potentials or with decreased intracellular calcium ([Ca(2+)]i) and recovered with depolarized membrane potentials or elevated [Ca(2+)]i Constitutively open mutation prevented BK channels from C-type inactivation. We concluded that BK channel C-type inactivation is closed state-dependent and that its extents and rates inversely correlate with channel-open probability. Because C-type inactivation can involve multiple conformational changes at the selectivity filter, we propose that the BK channel's normal closing may represent an early conformational stage of C-type inactivation.
NASA Astrophysics Data System (ADS)
Ming, Wenmei
This dissertation revitalizes the importance of surface charge effects in semiconductor nanostructures, in particular in the context of thin film growth and exotic electronic structures under delicate spin-orbit coupling. A combination of simulation techniques, including density functional theory calculation, kinetic Monte Carlo method, nonequilibrium Green's function method, and tight binding method, were employed to reveal the underlying physical mechanisms of four topics: (1) Effects of Li doping on H-diffusion in MgH 2 for hydrogen storage. It addresses both the effect of Fermi level tuning by charged dopant and the effect of dopant-defect interaction, and the latter was largely neglected in previous works; (2) Tuning nucleation density of the metal island with charge doping of the graphene substrate. It is the first time that the surface charge doping effect is proposed and studied as an effective approach to tune the kinetics of island nucleation at the early stage of thin film growth; (3) Complete isolation of Rashba surface states on the saturated semiconductor surface. It shows that the naturally saturated semiconductor surface of InSe(0001) with Au single layer film provides a mechanism for the formation of Rashba states with large spin splitting; it opens up an innovative route to obtaining ideal Rashba states without the overwhelming bulk spin-degenerate carriers in spin-dependent transport; (4) Formation of large band gap quantum spin Hall state on Si surface. This study reveals the importance of atomic orbital composition in the formation of a topological insulator, and shows promisingly the possible integration of topological insulator technology into Si-based modern electronic devices.
Neutron-Proton Coupling and the Lifetime of the First Excited State in ^16C
NASA Astrophysics Data System (ADS)
Fallon, Paul
2008-04-01
Nuclei near the valley of β-stability have strongly correlated proton and neutron spatial distributions. This need not be the case for nuclei with a large excess of one nucleon type and the search for new phenomena and structure effects due to the ``decoupling'' of neutrons and protons is of great interest in nuclear structure physics. Cited examples of decoupled behavior include neutron-halo nuclei with measurably different proton and neutron radial distributions, and low-energy dipole modes such as ``pygmy'' resonances where, simplistically, a core of equal numbers of protons and neutrons oscillates against the excess neutron ``skin'''. Recently, another example was suggested to occur in ^16C where the measurement of an anomalously quenched B(E2;2^+->^ 0^+) value of 0.63 e^2fm^4 combined with a large nuclear deformation led to the suggestion that the ^16C valence neutrons were decoupled from its near-spherical proton core (N.Imai et al., PRL 92 (2004) 062501; Z.Elekes et al., PLB 586 (2004) 34; H.J.Ong et al., PRC 73 (2006) 024610). In this talk I will discuss a new lifetime measurement for the first-excited 2^+ state in ^16C carried out at the LBNL 88-Inch Cyclotron using the Recoil Distance Method and ^9Be(^9Be,2p) fusion-evaporation reaction. The mean lifetime was found to be 11.7(20) ps corresponding to a B(E2) of 4.15(73) e^2fm^4, consistent with other even-even closed shell nuclei and neighboring systematics. Our result does not support the interpretation of decoupled protons and neutrons in ^16C. The revised value provides an important benchmark for theory. Time permitting I will present results on the neutron-rich nucleus ^30Ne produced in a 2p knockout reaction performed at the NSCL using the S800 spectrometer and SeGA gamma-ray detector. The measured (quenched) 2p knockout cross-section, when compared to theory, suggests a significant difference in the neutron intruder content between ^32Mg and ^30Ne, contrary to current shell models.
NASA Astrophysics Data System (ADS)
Horáček, J.; Mach, P.; Urban, J.
2010-09-01
The method of analytic continuation in the coupling constant in combination with use of the statistical Padé approximation is applied to the determination of resonance energy and width of the 2Πg state of N2-. It is shown that standard quantum chemistry codes provide accurate data which can be used for analytic continuation in the coupling constant, and the resonance energy and width can be inferred with an accuracy comparable to other more elaborate methods.
Hu, Hanshi; Bhaskaran-Nair, Kiran; Apra, Edoardo; Govind, Niranjan; Kowalski, Karol
2014-10-02
In this paper we discuss the application of novel parallel implementation of the coupled cluster (CC) and equation-of-motion coupled cluster methods (EOMCC) in calculations of excitation energies of triplet states in beta-carotene. Calculated excitation energies are compared with experimental data, where available. We also provide a detailed description of the new parallel algorithms for iterative CC and EOMCC models involving single and doubles excitations.
Ground state energy of the δ-Bose and Fermi gas at weak coupling from double extrapolation
NASA Astrophysics Data System (ADS)
Prolhac, Sylvain
2017-04-01
We consider the ground state energy of the Lieb–Liniger gas with δ interaction in the weak coupling regime γ \\to 0 . For bosons with repulsive interaction, previous studies gave the expansion {{e}\\text{B}}≤ft(γ \\right)≃ γ -4{γ3/2}/3π +≤ft(1/6-1/{π2}\\right){γ2} . Using a numerical solution of the Lieb–Liniger integral equation discretized with M points and finite strength γ of the interaction, we obtain very accurate numerics for the next orders after extrapolation on M and γ. The coefficient of {γ5/2} in the expansion is found to be approximately equal to -0.001 587 699 865 505 944 989 29 , accurate within all digits shown. This value is supported by a numerical solution of the Bethe equations with N particles, followed by extrapolation on N and γ. It was identified as ≤ft(3\\zeta (3)/8-1/2\\right)/{π3} by G Lang. The next two coefficients are also guessed from the numerics. For balanced spin 1/2 fermions with attractive interaction, the best result so far for the ground state energy has been {{e}\\text{F}}≤ft(γ \\right)≃ {π2}/12-γ /2+{γ2}/6 . An analogue double extrapolation scheme leads to the value -\\zeta (3)/{π4} for the coefficient of {γ3} .
The microRNA miR-235 couples blast-cell quiescence to the nutritional state.
Kasuga, Hidefumi; Fukuyama, Masamitsu; Kitazawa, Aya; Kontani, Kenji; Katada, Toshiaki
2013-05-23
The coordination of stem- and blast-cell behaviours, such as self-renewal, differentiation and quiescence, with physiological changes underlies growth, regeneration and tissue homeostasis. Germline stem and somatic blast cells in newly hatched Caenorhabditis elegans larvae can suspend postembryonic development, which consists of diverse cellular events such as migration, proliferation and differentiation, until the nutritional state becomes favourable (termed L1 diapause). Although previous studies showed that the insulin/insulin-like growth factor (IGF) signalling (IIS) pathway regulates this developmental quiescence, the detailed mechanism by which the IIS pathway enables these multipotent cells to respond to nutrient availability is unknown. Here we show in C. elegans that the microRNA (miRNA) miR-235, a sole orthologue of mammalian miR-92 from the oncogenic miR-17-92 cluster, acts in the hypodermis and glial cells to arrest postembryonic developmental events in both neuroblasts and mesoblasts. Expression of mir-235 persists during L1 diapause, and decreases upon feeding in a manner dependent on the IIS pathway. Upregulation of one of the miR-235 targets, nhr-91, which encodes an orthologue of mammalian germ cell nuclear factor, is responsible for defects caused by loss of the miRNA. Our findings establish a novel role of a miR-92 orthologue in coupling blast-cell behaviours to the nutritional state.
NASA Astrophysics Data System (ADS)
Vernek, Edson; Penteado, Poliana; Seridonio, Antonio; Egues, José C.
2014-03-01
The search for Majorana bound state (MBS) is topological superconductor nanowires is currently a topic of great interest. Despite the various theoretical proposals and the experimental results, the question of whether the possible signatures of MBS can be distinguished from those arising from other phenomena such as the Kondo effect is still under debate. A recent proposal for detecting MBS using a quantum dot coupled to normal two leads and to a topological quantum wire has proven to be very appropriate structure to investigate this problem. In this system, the presence of MBS in the wire is marked as a e2 / 2 h conductance through the dot. In this work we find, that the e2 / 2 h conductance peak is not per se an distinct signature of a MBS in the wire. We show instead that it results from a leaking of the Majorana state into the dot. Moreover, by gating the dot level (ɛd) far away below and above the Fermi level of the leads (ɛF), the conductance remains at e2 / 2 h . The surviving of the conductance plateau for ɛd >ɛF contrasts with Kondo effect plateau known to emerge only for ɛd <ɛF . This work is supported by FAPESP, CNPq, CAPES and FAPEMIG.
Ohashi, Hayato Higashiguchi, Takeshi Suzuki, Yuhei; Kawasaki, Masato; Li, Bowen; Dunne, Padraig; O'Sullivan, Gerry; Kanehara, Tatsuhiko; Aida, Yuya; Nakamura, Nobuyuki; Torii, Shuichi; Makimura, Tetsuya; Jiang, Weihua
2014-01-21
We report on the identification of the optimum plasma conditions for a laser-produced plasma source for efficient coupling with multilayer mirrors at 6.x nm for beyond extreme ultraviolet lithography. A small shift to lower energies of the peak emission for Nd:YAG laser-produced gadolinium plasmas was observed with increasing laser power density. Charge-defined emission spectra were observed in electron beam ion trap (EBIT) studies and the charge states responsible identified by use of the flexible atomic code (FAC). The EBIT spectra displayed a larger systematic shift of the peak wavelength of intense emission at 6.x nm to longer wavelengths with increasing ionic charge. This combination of spectra enabled the key ion stage to be confirmed as Gd{sup 18+}, over a range of laser power densities, with contributions from Gd{sup 17+} and Gd{sup 19+} responsible for the slight shift to longer wavelengths in the laser-plasma spectra. The FAC calculation also identified the origin of observed out-of-band emission and the charge states responsible.
Dielmann-Gessner, Jessica; Grossman, Moran; Conti Nibali, Valeria; Born, Benjamin; Solomonov, Inna; Fields, Gregg B.; Havenith, Martina; Sagi, Irit
2014-01-01
The main focus of enzymology is on the enzyme rates, substrate structures, and reactivity, whereas the role of solvent dynamics in mediating the biological reaction is often left aside owing to its complex molecular behavior. We used integrated X-ray– and terahertz- based time-resolved spectroscopic tools to study protein–water dynamics during proteolysis of collagen-like substrates by a matrix metalloproteinase. We show equilibration of structural kinetic transitions in the millisecond timescale during degradation of the two model substrates collagen and gelatin, which have different supersecondary structure and flexibility. Unexpectedly, the detected changes in collective enzyme–substrate–water-coupled motions persisted well beyond steady state for both substrates while displaying substrate-specific behaviors. Molecular dynamics simulations further showed that a hydration funnel (i.e., a gradient in retardation of hydrogen bond (HB) dynamics toward the active site) is substrate-dependent, exhibiting a steeper gradient for the more complex enzyme–collagen system. The long-lasting changes in protein–water dynamics reflect a collection of local energetic equilibrium states specifically formed during substrate conversion. Thus, the observed long-lasting water dynamics contribute to the net enzyme reactivity, impacting substrate binding, positional catalysis, and product release. PMID:25425663
House, M. G.; Kobayashi, T.; Weber, B.; Hile, S. J.; Watson, T. F.; van der Heijden, J.; Rogge, S.; Simmons, M. Y.
2015-01-01
Spin states of the electrons and nuclei of phosphorus donors in silicon are strong candidates for quantum information processing applications given their excellent coherence times. Designing a scalable donor-based quantum computer will require both knowledge of the relationship between device geometry and electron tunnel couplings, and a spin readout strategy that uses minimal physical space in the device. Here we use radio frequency reflectometry to measure singlet–triplet states of a few-donor Si:P double quantum dot and demonstrate that the exchange energy can be tuned by at least two orders of magnitude, from 20 μeV to 8 meV. We measure dot–lead tunnel rates by analysis of the reflected signal and show that they change from 100 MHz to 22 GHz as the number of electrons on a quantum dot is increased from 1 to 4. These techniques present an approach for characterizing, operating and engineering scalable qubit devices based on donors in silicon. PMID:26548556
NASA Astrophysics Data System (ADS)
Ramesh, N.; Cane, M. A.; Seager, R.
2014-12-01
The tropical Pacific Ocean has persistently cool sea surface temperature (SST) anomalies that last several years to a decade, with either no El Niño events or very few weak El Niño events. These have been shown to cause large-scale droughts in the extratropics[i], including the major North American droughts such as the 1930s Dust Bowl, and may also be responsible for modulating the global mean surface temperature[ii]. Here we show that two models with different levels of complexity - the Zebiak-Cane model and the Geophysical Fluid Dynamics Laboratory Coupled Model version 2.1 - are able to produce such periods in a realistic manner. We then test the predictability of these periods in the Zebiak-Cane model using an ensemble of experiments with perturbed initial states. Our results show that the cool mean state is modestly predictable, while the lack of El Niño events during these cool periods is not. These results have implications for our understanding of the origins of such persistent cool states and the possibility of improving predictions of large-scale droughts. Further, we apply this method of using an ensemble of model simulations with perturbed initial states to make retrospective forecasts and to forecast the mean state of the tropical Pacific Ocean for the upcoming decade. Our results suggest, albeit with low confidence, that the current cool mean state will persist. This could imply the continuation of the drier than normal conditions that have, in general, afflicted southwest North America since the 1997/98 El Niño, as well as the current pause in global warming. [i] C. Herweijer and R. Seager, "The global footprint of persistent extra-tropical drought in the instrumental era," International Journal of Climatology, vol. 28, pp. 1761-1774, 2008. [ii] G. A. Meehl, J. M. Arblaster, J. T. Fasullo, A. Hu and K. E. Trenberth, "Model-based evidence of deep-ocean heat uptake during surface-temperature hiatus periods," Nature Climate Change, vol. 1, pp. 360
Alvaro, Elsa
2010-01-01
Detailed mechanistic studies on the coupling of aryl halides with thiols catalyzed by palladium complexes of the alkylbisphosphine ligand CyPF-tBu (1-dicyclohexylphosphino-2-di-tert-butylphosphinoethylferrocene) are reported. The elementary steps that constitute the catalytic cycle, i.e. oxidative addition, transmetalation and reductive elimination, have been studied, and their relative rates are reported. Each of the steps of the catalytic process occurs at temperatures that are much lower than those required for the reactions catalyzed by a combination of palladium precursors and CyPF-tBu. To explain these differences in rates between the catalytic and stoichiometric reactions, studies were conducted to identify the resting state of the catalyst of the reactions catalyzed by a combination of Pd(OAc)2 and CyPF-tBu, a combination of Pd(dba)2 and CyPF-tBu, or the likely intermediate Pd(CyPF-tBu)(Ar)(Br). These show that the major palladium complex in each case lies off of the catalytic cycle. The resting state of the reactions catalyzed by Pd(OAc)2 and CyPF-tBu was the palladium bis-thiolate complex [Pd(CyPF-tBu)(SR)2] (R = alkyl or aryl). The resting state in reactions catalyzed by Pd2(dba)3 and CyPF-tBu was the binuclear complex [Pd(CyPF-tBu)]2(μ2, η2-dba) (9). The resting state of reactions of both aromatic and aliphatic thiols catalyzed by [Pd(CyPF-tBu)(p-tolyl)(Br)] (3a) was the hydridopalladium thiolate complex [Pd(CyPF-tBu)(H)(SR)] (R= alkyl and aryl). All these palladium species have been prepared independently, and the mechanisms by which they enter the catalytic cycle have been examined in detail. These features of the reaction catalyzed by palladium and CyPF-tBu have been compared with those of reactions catalyzed by the alkylbisphosphine DiPPF and Pd(OAc)2 or Pd(dba)2. Our data indicate that the resting states of these reactions are similar to each other and that our mechanistic conclusions about reactions catalyzed by palladium and CyPF-tBu can be
NASA Technical Reports Server (NTRS)
Monchick, L.; Green, S.
1977-01-01
Two dimensionality-reducing approximations, the j sub z-conserving coupled states (sometimes called the centrifugal decoupling) method and the effective potential method, were applied to collision calculations of He with CO and with HCl. The coupled states method was found to be sensitive to the interpretation of the centrifugal angular momentum quantum number in the body-fixed frame, but the choice leading to the original McGuire-Kouri expression for the scattering amplitude - and to the simplest formulas - proved to be quite successful in reproducing differential and gas kinetic cross sections. The computationally cheaper effective potential method was much less accurate.
NASA Astrophysics Data System (ADS)
Zhu, Wenjie; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue
2017-01-01
This paper studied the potential energy curves of 30 Ω states yielded from the 14 Λ-S states (X2Σ+, 12Π, 22Π, 32Π, 12Σ-, 22Σ+, 32Σ+, 12Δ, 14Σ-, 14Σ+, 24Σ+, 14Π, 24Π, and 14Δ) of the BF+ cation. The potential energy curves were calculated for internuclear separations from approximately 0.08 to 1.1 nm using the CASSCF method, which was followed by the icMRCI approach with the aug-cc-pV6Z basis set. Of these 14 Λ-S states, the 24Σ+ and 24Π states were repulsive. The 22Π and 32Π states had double wells. The avoided crossings were found between the 12Π and the 22Π state, and between the 32Π and the 42Π state. The 12Π, 22Π, 32Π, and 14Π states were inverted with the spin-orbit coupling effect taken into account. The 14Π state and the second wells of 22Π and 32Π states were weakly bound. Each of the 12Π, 22Π, and 32Π states had one barrier. The potential energy curves of all the Λ-S and Ω states were extrapolated to the complete basis set limit. Core-valence correlation and scalar relativistic corrections were included at the level of an aug-cc-pV5Z basis set. The spin-orbit coupling effect was included by the state interaction approach with the Breit-Pauli Hamiltonian and the all-electron cc-pCV5Z set. The spectroscopic parameters were determined and compared with available experimental and other theoretical ones. The spin-orbit coupling effect on the spectroscopic parameters was evaluated in detail. Comparison with available experimental data show that the methodology used in this paper is highly accurate for this system.
NASA Astrophysics Data System (ADS)
Sau, Jay D.; Tewari, Sumanta; Lutchyn, Roman M.; Stanescu, Tudor D.; Das Sarma, S.
2010-12-01
We show that an ordinary semiconducting thin film with spin-orbit coupling can, under appropriate circumstances, be in a quantum topologically ordered state supporting exotic Majorana excitations which follow non-Abelian statistics. The key to the quantum topological order is the coexistence of spin-orbit coupling with proximity-induced s -wave superconductivity and an externally induced Zeeman coupling of the spins. For the Zeeman coupling below a critical value, the system is a nontopological (proximity-induced) s -wave superconductor. However, for a range of Zeeman coupling above the critical value, the lowest energy excited state inside a vortex is a zero-energy Majorana fermion state. The system, thus, has entered into a non-Abelian s -wave superconducting state via a topological quantum phase transition (TQPT) tuned by the Zeeman coupling. In the topological phase, since the time-reversal symmetry is explicitly broken by the Zeeman term in the Hamiltonian, the edge of the film constitutes a chiral Majorana wire. Just like the s -wave superconductivity, the Zeeman coupling can also be proximity induced in the film by an adjacent magnetic insulator. We show this by an explicit model tight-binding calculation for both types of proximity effects in the heterostructure geometry. Here we show that the same TQPT can be accessed by varying the interface transparency between the film and the superconductor. For the transparency below (above) a critical value, the system is a topological (regular) s -wave superconductor. In the one-dimensional version of the same structure and for the Zeeman coupling above the critical value, there are localized Majorana zero-energy modes at the two ends of a semiconducting quantum nanowire. In this case, the Zeeman coupling can be induced more easily by an external magnetic field parallel to the wire, obviating the need for a magnetic insulator. We show that, despite the fact that the superconducting pair potential in the nanowire is
NASA Astrophysics Data System (ADS)
Lu, Yen-Sen; Rihani, Jehan; Langensiepen, Matthias; Simmer, Clemens
2015-04-01
When simulating the circulation of energy and moisture in the terrestrial system, vegetation is one of the key factors which affect energy and water fluxes at land surface and in the subsurface. Vegetation physiology in the terrestrial system includes transpiration, respiration, and root water uptake. One of the main vegetation schemes controlling transpiration in Land Surface Models is the empirical parameterization for stomatal conductance. There are two main types of stomatal conductance used in land surface models: the Jarvis-Stewart type based on environmental factors such as light use efficiency, temperature, vapor pressure deficit, and soil moisture limit: and the Ball-Berry type based on photosynthesis schemes with a semi-mechanistic parameterization. Moreover, the interconnection between soil moisture and stomatal conductance is not fully understood and needs further investigation. Alongside stomatal conductance, Leaf area index (LAI) also has a significant effect on the modelling system and thereby can impact the calculation of latent heat and sensible heat fluxes, ground temperature, and soil moisture. LAI represents the vegetation structure effects on the hydrological and thermal state of land surface by interception, albedo, and shading, and therefore altering transpiration and leaf surface evaporation. LAI can be obtained from observations such as field and satellite measurement; or estimated using parameterization in Land Surface Models and Dynamic Vegetation Models.. This study focuses on how different vegetation schemes of stomatal conductance and LAI input effect land surface energy fluxes and groundwater flow, and how the uncertainty of different schemes propagates to the calculation of thermal and hydrologic state of land surface and soil moisture. To reach the research aims of this study, land surface simulations and coupled land surface-groundwater simulations are performed and compared. In this numerical experiment, the modelling platform
Coriolis coupling effects on the initial-state-resolved dynamics of the N(2D)+H2-->NH+H reaction.
Defazio, Paolo; Petrongolo, Carlo
2007-11-28
We present Coriolis coupling effects on the initial-state-resolved dynamics of the insertion reaction N((2)D)+H(2)(X (1)Sigma(g) (+))-->NH(X (3)Sigma(-) and a (1)Delta)+H((2)S), without and with nonadiabatic Renner-Teller (RT) interactions between the NH(2) X (2)B(1) and A (2)A(1) electronic states. We report coupled-channel (CC) Hamiltonian matrix elements, which take into account both Coriolis and RT couplings, use the real wave-packet and flux methods for calculating initial-state-resolved reaction probabilities, and contrast CC with centrifugal-sudden (CS) results. Without RT interactions, Coriolis effects are rather small up to J=40, and the CS approximation can be safely employed for calculating initial-state-resolved, integral cross sections. On the other hand, RT effects are associated with rather large Coriolis couplings, mainly near the linearity of NH(2), and the accuracy of the CS approximation thus breaks down at high collision energies, when the reaction starts on the excited A (2)A(1) surface. We also present the CC-RT distribution of the X (3)Sigma(-) and a (1)Delta electronic states of the NH products.
Krause, Katharina; Klopper, Wim
2015-03-14
A generalization of the approximated coupled-cluster singles and doubles method and the algebraic diagrammatic construction scheme up to second order to two-component spinors obtained from a relativistic Hartree–Fock calculation is reported. Computational results for zero-field splittings of atoms and monoatomic cations, triplet lifetimes of two organic molecules, and the spin-forbidden part of the UV/Vis absorption spectrum of tris(ethylenediamine)cobalt(III) are presented.
Gosnold, William D.; Eversoll, Duane, A.; Messenger, Karen A.; Carlson, Marvin P.
1983-06-30
The goal of the State Coupled Resource Assessment Program is to identify and evaluate geothermal resources in the state, particularly low-temperature potential. Eight tasks were identified and documented in this report as follows: (1) Bottom-hole Temperature Survey; (2) Heat Flow and Temperature Gradient Survey; (3) Data Translation studies; (4) Gravity Data; (5) Substate Regions; (6) Information Dissemination; (7) State Geothermal Map; (8) Reports. The project had three major products: (1) a map ''Geothermal Resources of Nebraska''; (2) a significant amount of thermal data collected and documented within the state; and (3) a series of publications, presentations and meetings.
NASA Astrophysics Data System (ADS)
Yamaguchi, T.; Inotani, D.; Ohashi, Y.
2016-05-01
We investigate the formation of rashbon bound states and strong-coupling effects in an ultracold Fermi gas with a spherical spin-orbit interaction, H_so=λ {\\varvec{p}}\\cdot {σ } (where {σ }=(σ _x,σ _y,σ _z) are Pauli matrices). Extending the strong-coupling theory developed by Nozières and Schmitt-Rink (NSR) to include this spin-orbit coupling, we determine the superfluid phase transition temperature T_c, as functions of the strength of a pairing interaction U_s, as well as the spin-orbit coupling strength λ . Evaluating poles of the NSR particle-particle scattering matrix describing fluctuations in the Cooper channel, we clarify the region where rashbon bound states dominate the superfluid phase transition in the U_s-λ phase diagram. Since the antisymmetric spin-orbit interaction H_so breaks the inversion symmetry of the system, rashbon bound states naturally have not only a spin-singlet and even-parity symmetry, but also a spin-triplet and odd-parity symmetry. Thus, our results would be also useful for the study of this parity-mixing effect in the BCS-BEC crossover regime of a spin-orbit coupled Fermi gas.
A closed-form solution for steady-state coupled phloem/xylem flow using the Lambert-W function.
Hall, A J; Minchin, P E H
2013-12-01
A closed-form solution for steady-state coupled phloem/xylem flow is presented. This incorporates the basic Münch flow model of phloem transport, the cohesion model of xylem flow, and local variation in the xylem water potential and lateral water flow along the transport pathway. Use of the Lambert-W function allows this solution to be obtained under much more general and realistic conditions than has previously been possible. Variation in phloem resistance (i.e. viscosity) with solute concentration, and deviations from the Van't Hoff expression for osmotic potential are included. It is shown that the model predictions match those of the equilibrium solution of a numerical time-dependent model based upon the same mechanistic assumptions. The effect of xylem flow upon phloem flow can readily be calculated, which has not been possible in any previous analytical model. It is also shown how this new analytical solution can handle multiple sources and sinks within a complex architecture, and can describe competition between sinks. The model provides new insights into Münch flow by explicitly including interactions with xylem flow and water potential in the closed-form solution, and is expected to be useful as a component part of larger numerical models of entire plants.
Aaltonen, Timo Antero
2016-06-20
A search for a Higgs boson with suppressed couplings to fermions, $h_f$, assumed to be the neutral, lower-mass partner of the Higgs boson discovered at the Large Hadron Collider, is reported. Such a Higgs boson could exist in extensions of the standard model with two Higgs doublets, and could be produced via $p\\bar{p} \\to H^\\pm h_f \\to W^* h_f h_f \\to 4\\gamma + X$, where $H^\\pm$ is a charged Higgs boson. This analysis uses all events with at least three photons in the final state from proton-antiproton collisions at a center-of-mass energy of 1.96~TeV collected by the Collider Detector at Fermilab, corresponding to an integrated luminosity of 9.2~${\\rm fb}^{-1}$. No evidence of a signal is observed in the data. Values of Higgs-boson masses between 10 and 100 GeV/$c^2$ are excluded at 95\\% Bayesian credibility.
Peng, Bo; Kowalski, Karol
2016-12-23
In this paper we derive basic properties of the Green’s function matrix elements stemming from the exponential coupled cluster (CC) parametrization of the ground-state wave function. We demon- strate that all intermediates used to express retarded (or equivalently, ionized) part of the Green’s function in the ω-representation can be expressed through connected diagrams only. Similar proper- ties are also shared by the first order ω-derivatives of the retarded part of the CC Green’s function. This property can be extended to any order ω-derivatives of the Green’s function. Through the Dyson equation of CC Green’s function, the derivatives of corresponding CC self-energy can be evaluated analytically. In analogy to the CC Green’s function, the corresponding CC self-energy is expressed in terms of connected diagrams only. Moreover, the ionized part of the CC Green’s func- tion satisfies the non-homogeneous linear system of ordinary differential equations, whose solution may be represented in the exponential form. Our analysis can be easily generalized to the advanced part of the CC Green’s function.
NASA Astrophysics Data System (ADS)
Schröder, Leif; Schmitz, Christian; Bachert, Peter
2004-12-01
Coupling constants of nuclear spin systems can be determined from phase modulation of multiplet resonances. Strongly coupled systems such as citrate in prostatic tissue exhibit a more complex modulation than AX connectivities, because of substantial mixing of quantum states. An extreme limit is the coupling of n isochronous spins (A n system). It is observable only for directly connected spins like the methylene protons of creatine and phosphocreatine which experience residual dipolar coupling in intact muscle tissue in vivo. We will demonstrate that phase modulation of this "pseudo-strong" system is quite simple compared to those of AB systems. Theory predicts that the spin-echo experiment yields conditions as in the case of weak interactions, in particular, the phase modulation depends linearly on the line splitting and the echo time.
NASA Astrophysics Data System (ADS)
Yasushi, Yokoya; Yoshiko, Oi Nakamura
1996-02-01
Within the framework of the Eliashberg theory including the energy-dependent Lorentzian electronic density of states (EDOS), the behavior of the quasiparticle density of states (QDOS) is studied for strong-coupling superconductors. Our numerical calculation shows that when the EDOS has structure it can give an additional structure to the QDOS besides the usual fine structures due to the strong electron-phonon coupling when the carrier concentration has appropriate values. It is also found that the inclusion of the energy-varying EDOS leads to unusual band-filling dependence of the gap ratio 2 Δ0/ kBTc: The calculation with the band-filling n being varied, reveals that the gap ratio does not necessarily take its maximum value of half-filling, but at a value of n far away from half-filling. This may occur as the electron-phonon coupling becomes very strong.
In this study, the shortwave cloud forcing (SWCF) and longwave cloud forcing (LWCF) are estimated with the newly developed two-way coupled WRF-CMAQ over the eastern United States. Preliminary indirect aerosol forcing has been successfully implemented in WRF-CMAQ. The comparisons...
2014-01-01
Background Bioethanol production from biomass is becoming a hot topic internationally. Traditional static solid state fermentation (TS-SSF) for bioethanol production is similar to the traditional method of intermittent operation. The main problems of its large-scale intensive production are the low efficiency of mass and heat transfer and the high ethanol inhibition effect. In order to achieve continuous production and high conversion efficiency, gas stripping solid state fermentation (GS-SSF) for bioethanol production from sweet sorghum stalk (SSS) was systematically investigated in the present study. Results TS-SSF and GS-SSF were conducted and evaluated based on different SSS particle thicknesses under identical conditions. The ethanol yield reached 22.7 g/100 g dry SSS during GS-SSF, which was obviously higher than that during TS-SSF. The optimal initial gas stripping time, gas stripping temperature, fermentation time, and particle thickness of GS-SSF were 10 h, 35°C, 28 h, and 0.15 cm, respectively, and the corresponding ethanol stripping efficiency was 77.5%. The ethanol yield apparently increased by 30% with the particle thickness decreasing from 0.4 cm to 0.05 cm during GS-SSF. Meanwhile, the ethanol yield increased by 6% to 10% during GS-SSF compared with that during TS-SSF under the same particle thickness. The results revealed that gas stripping removed the ethanol inhibition effect and improved the mass and heat transfer efficiency, and hence strongly enhanced the solid state fermentation (SSF) performance of SSS. GS-SSF also eliminated the need for separate reactors and further simplified the bioethanol production process from SSS. As a result, a continuous conversion process of SSS and online separation of bioethanol were achieved by GS-SSF. Conclusions SSF coupled with gas stripping meet the requirements of high yield and efficient industrial bioethanol production. It should be a novel bioconversion process for bioethanol production from SSS
Cadars, Sylvian; Brouwer, Darren H; Chmelka, Bradley F
2009-03-21
Subtle structural details of siliceous zeolites are probed by using two-bond scalar (J) coupling constants to characterize covalently bonded 29Si-O-29Si site pairs and local framework order. Solid-state two-dimensional (2D) 29Si{29Si} NMR measurements and first-principles calculations of 2J(29Si-O-29Si) couplings shed insights on both the local structures of siliceous zeolites Sigma-2 and ZSM-12, as well as the sensitivity of J couplings for detailed characterization analyses. DFT calculations on a model linear silicate dimer show that 2J(Si-O-Si) couplings have complicated multiple angular dependencies that make semi-empirical treatments impractical, but which are amenable to cluster approaches for accurate J-coupling calculations in zeolites. DFT calculations of 2J(29Si-O-29Si) couplings of the siliceous zeolite Sigma-2, whose framework structure is known to high accuracy from single-crystal X-ray diffraction studies, yield excellent agreement between calculated and experimentally measured 2J(Si-O-Si) couplings. For the siliceous zeolite ZSM-12, calculated 2J(29Si-O-29Si) couplings based on less-certain powder X-ray diffraction analyses deviate significantly from experimental values, while a refined structure based on 29Si chemical-shift-tensor analyses shows substantially improved agreement. 29Si J-coupling interactions can be used as sensitive probes of local structures of zeolitic frameworks and offer new opportunities for refining and solving complicated structures, in combination with complementary scattering, modeling, and other nuclear spin interactions.
Oana, C Melania; Krylov, Anna I
2007-12-21
Implementation of Dyson orbitals for coupled-cluster and equation-of-motion coupled-cluster wave functions with single and double substitutions is described and demonstrated by examples. Both ionizations from the ground and electronically excited states are considered. Dyson orbitals are necessary for calculating electronic factors of angular distributions of photoelectrons, Compton profiles, electron momentum spectra, etc, and can be interpreted as states of the leaving electron. Formally, Dyson orbitals represent the overlap between an initial N-electron wave function and the N-1 electron wave function of the corresponding ionized system. For the ground state ionization, Dyson orbitals are often similar to the corresponding Hartree-Fock molecular orbitals (MOs); however, for ionization from electronically excited states Dyson orbitals include contributions from several MOs and their shapes are more complex. The theory is applied to calculating the Dyson orbitals for ionization of formaldehyde from the ground and electronically excited states. Partial-wave analysis is employed to compute the probabilities to find the ejected electron in different angular momentum states using the freestanding and Coulomb wave representations of the ionized electron. Rydberg states are shown to yield higher angular momentum electrons, as compared to valence states of the same symmetry. Likewise, faster photoelectrons are most likely to have higher angular momentum.
Gascooke, Jason R; Virgo, Edwina A; Lawrance, Warren D
2015-01-14
We report a two dimensional, laser induced fluorescence study of the lowest 345 cm(-1) region of S0 toluene. Methyl rotor levels of 00 up to m = 6 and of 201 up to m = 4 are observed. The rotor levels of 00 and 201 have quite different energy spacings that are well fit by a model that includes strong torsion-vibration coupling between them. The model requires that the rotor barrier height be revised from -4.84 cm(-1) (methyl hydrogens in a staggered conformation) to +1.57 cm(-1) (eclipsed conformation). However, the 3a2″ state lies below the 3a1″ state as expected for a staggered conformation due to energy shifts associated with the torsion-vibration coupling. It is shown that the rotor wave-functions exhibit little localization at the torsional energy minima. The variation in the m = 0 wavefunction probability distribution with torsional angle is shown to be very similar for the previously accepted negative V6 value and the torsion-vibration coupling model as this coupling shifts the phase of the wavefunction by 30° compared with its phase for V6 alone. The presence of a strong Δυ = ± 1 torsion-vibration coupling involving the lowest frequency vibrational mode provides a potential pathway for rapid intramolecular vibrational energy redistribution at higher energies.
NASA Astrophysics Data System (ADS)
Wang, G.; Mei, R.
2011-12-01
This study examines the land atmosphere coupling strength during summer over sub-regions of the U.S. based on observations (CPC-VIC), reanalysis data (NARR and CFSR) and models (CAM3-CLM3 and CAM4-CLM4). The probability density function of conditioned correlation between soil moisture and subsequent precipitation or surface temperature over the years of large precipitation anomalies is used as a measure for the coupling strength. There are three major findings: (1) Among the eight sub-regions (classified by land cover types), the transition zone Great Plains (and to a less extent Midwest and Southeast) are identified as hot spots for strong land-atmosphere coupling. (2) Soil moisture-precipitation coupling is weaker than soil moisture-surface temperature coupling. (3) The coupling strength is stronger in observational and reanalysis products than in the models examined, especially in CAM4-CLM4 (which has a weaker coupling than in CAM3-CLM3). The comparison between the two models is further supported by GLACE1-type experiments and attributed to changes in CAM rather than modifications in CLM. Contrary to suggestions in previous studies, numerical models do not seem to overestimate the land-atmosphere coupling strength.
Dobrev, Plamen; Donnini, Serena; Groenhof, Gerrit; Grubmüller, Helmut
2017-01-10
Correct protonation of titratable groups in biomolecules is crucial for their accurate description by molecular dynamics simulations. In the context of constant pH simulations, an additional protonation degree of freedom is introduced for each titratable site, allowing the protonation state to change dynamically with changing structure or electrostatics. Here, we extend previous approaches for an accurate description of chemically coupled titrating sites. A second reaction coordinate is used to switch between two tautomeric states of an amino acid with chemically coupled titratable sites, such as aspartate (Asp), glutamate (Glu), and histidine (His). To this aim, we test a scheme involving three protonation states. To facilitate charge neutrality as required for periodic boundary conditions and Particle Mesh Ewald (PME) electrostatics, titration of each respective amino acid is coupled to a "water" molecule that is charged in the opposite direction. Additionally, a force field modification for Amber99sb is introduced and tested for the description of carboxyl group protonation. Our three states model is tested by titration simulations of Asp, Glu, and His, yielding a good agreement, reproducing the correct geometry of the groups in their different protonation forms. We further show that the ion concentration change due to the neutralizing "water" molecules does not significantly affect the protonation free energies of the titratable groups, suggesting that the three states model provides a good description of biomolecular dynamics at constant pH.
Valero, Rosendo; Truhlar, Donald G; Jasper, Ahren W
2008-06-26
The development of spin-coupled diabatic representations for theoretical semiclassical treatments of photodissociation dynamics is an important practical goal, and some of the assumptions required to carry this out may be validated by applications to simple systems. With this objective, we report here a study of the photodissociation dynamics of the prototypical HBr system using semiclassical trajectory methods. The valence (spin-free) potential energy curves and the permanent and transition dipole moments were computed using high-level ab initio methods and were transformed to a spin-coupled diabatic representation. The spin-orbit coupling used in the transformation was taken as that of atomic bromine at all internuclear distances. Adiabatic potential energy curves, nonadiabatic couplings and transition dipole moments were then obtained from the diabatic ones and were used in all the dynamics calculations. Nonadiabatic photodissociation probabilities were computed using three semiclassical trajectory methods, namely, coherent switching with decay of mixing (CSDM), fewest switches with time uncertainty (FSTU), and its recently developed variant with stochastic decoherence (FTSU/SD), each combined with semiclassical sampling of the initial vibrational state. The calculated branching fraction to the higher fine-structure level of the bromine atom is in good agreement with experiment and with more complete theoretical treatments. The present study, by comparing our new calculations to wave packet calculations with distance-dependent ab initio spin-orbit coupling, validates the semiclassical trajectory methods, the semiclassical initial state sample scheme, and the use of a distance-independent spin-orbit coupling for future applications to polyatomic photodissociation. Finally, using LiBr(+) as a model system, it is shown that accurate spin-coupled potential curves can also be constructed for odd-electron systems using the same strategy as for HBr.
Mondal, T; Varandas, A J C
2012-12-07
The Jahn-Teller (JT) coupling effects in the triply degenerate ground electronic state of methane radical cation are investigated theoretically within a quadratic vibronic coupling approach. The underlying potential energy surfaces over the two-dimensional space of nuclear coordinates, subject to the T(2) ⊗ (e + t(2) + t(2)) Jahn-Teller effect, are established from extensive ab initio calculations using the multi-reference configuration interaction method and then employed to determine the various parameters of a diabatic Hamiltonian of this system. Our previous investigation [T. Mondal and A. J. C. Varandas, J. Chem. Phys. 135, 174304 (2011)], relying on the linear vibronic coupling approach augmented by only a diagonal second-order term of the totally symmetric mode, are extended here by including all possible quadratic coupling constants of JT active e and t(2) modes. Inclusion of these quadratic couplings is found to be important to reproduce correctly the broad vibrational structure and for a better description of dynamical JT effect in the first vibronic band of this radical cation. The impact of large amplitude motions (which are responsible for floppiness of the molecule) on the vibronic structure and dynamics of the first photoelectron band have been examined via readjustment of their linear coupling parameters up to ±10%.
NASA Astrophysics Data System (ADS)
Infante, Ivan; Visscher, Lucas
2004-09-01
We present calculations at the relativistic coupled cluster theory that predict the 1Σ0+ ground state of CUO to lie 58.2 kJ/mol below the first excited state, 3Φ2. This can be contrasted with the outcome of earlier density functional theory and complete active space second order perturbation theory (CASPT2) calculations that both predicted a 3Φ2 ground state upon inclusion of spin-orbit coupling in the calculations. Our result gives further justification to the interpretation of the measured frequency shifts of this species in various noble gas matrices as being caused by significant interaction between the uranium and the heavier noble gas atoms.
David E. Rupp,
2016-05-05
The 20th century climate for the Southeastern United States and surrounding areas as simulated by global climate models used in the Coupled Model Intercomparison Project Phase 5 (CMIP5) was evaluated. A suite of statistics that characterize various aspects of the regional climate was calculated from both model simulations and observation-based datasets. CMIP5 global climate models were ranked by their ability to reproduce the observed climate. Differences in the performance of the models between regions of the United States (the Southeastern and Northwestern United States) warrant a regional-scale assessment of CMIP5 models.
Honigmann, Michael; Buenker, Robert J; Liebermann, Heinz-Peter
2009-07-21
Complex multireference configuration interaction calculations have been carried out for the lowest resonance states of (2)Pi(g) symmetry of the N(2)(-) molecule. It is shown that there is a forbidden crossing between the two lowest roots of this symmetry and that a satisfactory calculation of vibrational levels and cross sections therefore requires inclusion of both states and the coupling between them. A diabatic representation for the two (2)Pi(g) states was determined and vibronic calculations of the cross sections for vibrational excitation were carried out with a two-dimensional complex variational program.
Kowalski, Karol; Valiev, Marat
2007-01-01
High-level ab-initio equation-of-motion coupled-cluster methods with singles, doubles, and noniterative triples are used, in conjunction with the combined quantum mechanical molecular mechanics approach, to investigate the structure of low-lying excited states of the guanine base in DNA and solvated environments. Our results indicate that while the excitation energy of the first excited state is barely changed compared to its gas-phase counterpart, the excitation energy of the second excited state is blue-shifted by 0.24 eV.
Cavity-Assisted Single-Mode and Two-Mode Spin-Squeezed States via Phase-Locked Atom-Photon Coupling.
Zhang, Yong-Chang; Zhou, Xiang-Fa; Zhou, Xingxiang; Guo, Guang-Can; Zhou, Zheng-Wei
2017-02-24
We propose a scheme to realize the two-axis countertwisting spin-squeezing Hamiltonian inside an optical cavity with the aid of phase-locked atom-photon coupling. By careful analysis and extensive simulation, we demonstrate that our scheme is robust against dissipation caused by cavity loss and atomic spontaneous emission, and it can achieve significantly higher squeezing than one-axis twisting. We further show how our idea can be extended to generate two-mode spin-squeezed states in two coupled cavities. Because of its easy implementation and high tunability, our scheme is experimentally realizable with current technologies.
NASA Astrophysics Data System (ADS)
Sun, Yong; Ding, Zhao-Hua; Xiao, Jing-Lin
2017-03-01
Employing variational method of Pekar type (VMPT), this paper investigates the first-excited state energy (FESE), excitation energy and transition frequency of the strongly-coupled polaron in the CsI quantum pseudodot (QPD) with electric field. The temperature effects on the strong-coupling polaron in electric field are calculated by using the quantum statistical theory (QST). The results from the present investigation show that the FESE, excitation energy and transition frequency increase (decrease) firstly and then at lower (higher) temperature regions. They are decreasing functions of the electric field strength. Supported by the National Natural Science Foundation of China under Grant No. 11464033
Review of metastable states in heavy nuclei
NASA Astrophysics Data System (ADS)
Dracoulis, G. D.; Walker, P. M.; Kondev, F. G.
2016-07-01
The structure of nuclear isomeric states is reviewed in the context of their role in contemporary nuclear physics research. Emphasis is given to high-spin isomers in heavy nuclei, with A≳ 150 . The possibility to exploit isomers to study some of the most exotic nuclei is a recurring theme. In spherical nuclei, the role of octupole collectivity is discussed in detail, while in deformed nuclei the limitations of the K quantum number are addressed. Isomer targets and isomer beams are considered, along with applications related to energy storage, astrophysics, medicine, and experimental advances.
Review of metastable states in heavy nuclei
Dracoulis, G. D.; Walker, P. M.; Kondev, F. G.
2016-05-31
Here, the structure of nuclear isomeric states is reviewed in the context of their role in contemporary nuclear physics research. Emphasis is given to high-spin isomers in heavy nuclei, with A ≳ 150. The possibility to exploit isomers to study some of the most exotic nuclei is a recurring theme. In spherical nuclei, the role of octupole collectivity is discussed in detail, while in deformed nuclei the limitations of the K quantum number are addressed. Isomer targets and isomer beams are considered, along with applications related to energy storage, astrophysics, medicine, and experimental advances.
NASA Astrophysics Data System (ADS)
Dattani, Nikesh S.; Li, Xuan
2013-06-01
Recent high-resolution (± 0.00002 cm^{-1}) photo-association spectroscopy (PAS) data of seven previously unexplored vibrational levels of the 1^3Σ_g^+ state of Li_2 have allowed for the first ever experimental determination of the spin-spin (λ_v) and spin-rotation (γ_v) coupling constants in a diatomic lithium system. For triplet states of diatomic molecules such as the 1^3Σ_g^+ state of Li_2, the three spin-spin/spin-rotation resolved energies associated with a ro-vibrational state |v,N> were expressed explicity in terms of B_v, λ_v, and γ_v in 1929 by Kramer's first-order formulas and then in 1937 by Schlapp's more refined formulas. Given spectroscopic data, while it has never been difficult to extract λ_v and γ_v from Schlapp's formulas, it has been a challenge to reliably predict how accurate these extracted values are. This is for two reasons: (1) the lack of a rigorous method to estimate the uncertainty in B_v, (2) the non-linearity of Schlapp's coupled equations has meant that traditionally they have had to be solved numerically by Newton iterations which makes error propagation difficult. The former challenge has been this year solved by Le Roy with a modification of Hutson's perturbation theory of, and the latter problem has now been solved by symbolic computing software that solves Schlapp's coupled non-linear equations analytically for the first time since their introduction in 1937. M. Semczuk, X. Li, W. Gunton, M. Haw, N. Dattani, J. Witz, A. Mills, D. Jones, K. Madison, Physical Review A {87}, XX (2013) H. Kramers, Zeitschrift fur Physik {53}, 422 (1929) R. Schlapp, Physical Review {51}, 342 (1937) J. Hutson, J. Phys. B, {14}, 851 (1981)
Lai, Chung-Chieng A.
1997-10-01
This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The ultimate objective of this research project is to make understanding and predicting regional climate easier. The long-term goals of this project are (1) to construct a coupled ocean-atmosphere model (COAM) system, (2) use it to explore the interannual-to-decadal climate variability over the North Pacific Basin, and (3) determine climate effects on the precipitation over the Southwestern United States. During this project life, three major tasks were completed: (1) Mesoscale ocean and atmospheric model; (2) global-coupled ocean and atmospheric modeling: completed the coupling of LANL POP global ocean model with NCAR CCM2+ global atmospheric model; and (3) global nested-grid ocean modeling: designed the boundary interface for the nested-grid ocean models.
NASA Astrophysics Data System (ADS)
Smith, J. F.; Simon, M. W.; Ibbotson, R. W.; Butler, P. A.; Aprahamian, A.; Bruce, A. M.; Cline, D.; Devlin, M.; Jones, G. D.; Jones, P. M.; Wu, C. Y.
1998-12-01
The lifetimes of 12 states in the opposite-parity bands of 153Eu have been measured using a recoil-distance technique following Coulomb excitation with a 220-MeV 58Ni beam. Electric-quadrupole (Q0) and -dipole (D0) moments, and intrinsic g factors (gK) have been extracted from the lifetimes. The Q0 and D0 values show very little dependence on spin and parity, and have the values of approximately 6.6 e b and 0.077 e fm, respectively. The gK values are found to differ for the positive- and negative-parity states. Although the large D0 values suggest a reflection-asymmetric octupole-deformed nuclear shape, the different gK values contradict this interpretation. A discussion of the nuclear structure of 153Eu in terms of potential parity-doublet bands and octupole deformation is given.
NASA Astrophysics Data System (ADS)
Liu, Hui; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue
2016-11-01
This work calculated the PECs of 24 Λ-S states and 54 Ω states of F2+ cation. The calculations were done with the CASSCF method, which was followed by the internally contracted MRCI approach. Core-valence correlation correction, scalar relativistic correction and basis set extrapolation were taken into account. Of these 24 Λ-S states, the 22Σg-, 22Σu-, 24Σg-, 14Δu, and 24Πg states were found to be repulsive. The X2Πg, A2Πu 14Δg, 14Πg and 24Πg states were found to be inverted with the spin-orbit coupling effect included. The 12Δg, 24Πu, 14Πg, 14Σu+, 22Πu, 14Σg-, 24Σu-, and 12Σg+ states were found to be weakly bound. The 24Σu- state had double wells. The avoided crossings of PECs were observed between the A2Πu and 22Πu states, the X2Πg and 22Πg states, the 12Σu- and 22Σu- states, the 14Πu and 24Πu states, and the 14Σ-g and 24Σ-g states. Some spectroscopic parameters were determined and the vibrational properties of several weakly-bound states were predicted. The spin-orbit coupling effect on the spectroscopic parameters was evaluated. Comparison with available experimental data shows that the methodology used in this paper is highly accurate for this system. Supplementary material in the form of one pdf file available from the Journal web page at: http://dx.doi.org/10.1140/epjd/e2016-70388-9
Shakib, Farnaz A.; Hanna, Gabriel
2016-01-14
In a previous study [F. A. Shakib and G. Hanna, J. Chem. Phys. 141, 044122 (2014)], we investigated a model proton-coupled electron transfer (PCET) reaction via the mixed quantum-classical Liouville (MQCL) approach and found that the trajectories spend the majority of their time on the mean of two coherently coupled adiabatic potential energy surfaces. This suggested a need for mean surface evolution to accurately simulate observables related to ultrafast PCET processes. In this study, we simulate the time-dependent populations of the three lowest adiabatic states in the ET-PT (i.e., electron transfer preceding proton transfer) version of the same PCET model via the MQCL approach and compare them to the exact quantum results and those obtained via the fewest switches surface hopping (FSSH) approach. We find that the MQCL population profiles are in good agreement with the exact quantum results and show a significant improvement over the FSSH results. All of the mean surfaces are shown to play a direct role in the dynamics of the state populations. Interestingly, our results indicate that the population transfer to the second-excited state can be mediated by dynamics on the mean of the ground and second-excited state surfaces, as part of a sequence of nonadiabatic transitions that bypasses the first-excited state surface altogether. This is made possible through nonadiabatic transitions between different mean surfaces, which is the manifestation of coherence transfer in MQCL dynamics. We also investigate the effect of the strength of the coupling between the proton/electron and the solvent coordinate on the state population dynamics. Drastic changes in the population dynamics are observed, which can be understood in terms of the changes in the potential energy surfaces and the nonadiabatic couplings. Finally, we investigate the state population dynamics in the PT-ET (i.e., proton transfer preceding electron transfer) and concerted versions of the model. The PT
Shakib, Farnaz A; Hanna, Gabriel
2016-01-14
In a previous study [F. A. Shakib and G. Hanna, J. Chem. Phys. 141, 044122 (2014)], we investigated a model proton-coupled electron transfer (PCET) reaction via the mixed quantum-classical Liouville (MQCL) approach and found that the trajectories spend the majority of their time on the mean of two coherently coupled adiabatic potential energy surfaces. This suggested a need for mean surface evolution to accurately simulate observables related to ultrafast PCET processes. In this study, we simulate the time-dependent populations of the three lowest adiabatic states in the ET-PT (i.e., electron transfer preceding proton transfer) version of the same PCET model via the MQCL approach and compare them to the exact quantum results and those obtained via the fewest switches surface hopping (FSSH) approach. We find that the MQCL population profiles are in good agreement with the exact quantum results and show a significant improvement over the FSSH results. All of the mean surfaces are shown to play a direct role in the dynamics of the state populations. Interestingly, our results indicate that the population transfer to the second-excited state can be mediated by dynamics on the mean of the ground and second-excited state surfaces, as part of a sequence of nonadiabatic transitions that bypasses the first-excited state surface altogether. This is made possible through nonadiabatic transitions between different mean surfaces, which is the manifestation of coherence transfer in MQCL dynamics. We also investigate the effect of the strength of the coupling between the proton/electron and the solvent coordinate on the state population dynamics. Drastic changes in the population dynamics are observed, which can be understood in terms of the changes in the potential energy surfaces and the nonadiabatic couplings. Finally, we investigate the state population dynamics in the PT-ET (i.e., proton transfer preceding electron transfer) and concerted versions of the model. The PT
Lévêque, Camille; Komainda, Adrian; Taïeb, Richard; Köppel, Horst
2013-01-28
The nonadiabatic photoinduced dynamics occurring in the coupled 1(1)A(2) and 1(1)B(1) excited states of SO(2) is investigated using ab initio quantum dynamical methods. To this end, large scale calculations of the potential energy surfaces have been carried out at the multireference configuration interaction level. All vibrational degrees of freedom of the molecule are considered in the potential energy surface calculations and the quantum dynamical treatment. To deal with the symmetry-allowed conical intersection which occurs between the potential energy surfaces, we use the diabatic picture in the framework of regularized diabatic states. Wave-packet propagation on the coupled surfaces was performed and allowed to reproduce with good accuracy the complex absorption band observed experimentally in the 29,000-42,000 cm(-1) range. This provides a basis for a subsequent theoretical treatment of the high order harmonic spectra of SO(2).
NASA Astrophysics Data System (ADS)
Noguchi, Ryo; Kuroda, Kenta; Yaji, K.; Kobayashi, K.; Sakano, M.; Harasawa, A.; Kondo, Takeshi; Komori, F.; Shin, S.
2017-01-01
We use spin- and angle-resolved photoemission spectroscopy (SARPES) combined with a polarization-variable laser and investigate the spin-orbit coupling effect under interband hybridization of Rashba spin-split states for the surface alloys Bi/Ag(111) and Bi/Cu(111). In addition to the conventional band mapping of photoemission for Rashba spin splitting, the different orbital and spin parts of the surface wave function are directly imaged into energy-momentum space. It is unambiguously revealed that the interband spin-orbit coupling modifies the spin and orbital character of the Rashba surface states leading to the enriched spin-orbital entanglement and the pronounced momentum dependence of the spin polarization. The hybridization thus strongly deviates the spin and orbital characters from the standard Rashba model. The complex spin texture under interband spin-orbit hybridization proposed by first-principles calculation is experimentally unraveled by SARPES with a combination of p - and s -polarized light.
Perrot, François; Dharma-wardana, M W C; Benage, John
2002-04-01
The equation of state (EOS) in regimes of density (rho) and temperature (T) which are inaccessible to experiment has to be determined using theories which may themselves be out of their range of validity. Even for Al, the EOS in the region 0.1
Coupling data from U-series and 10Be CRN to evaluate soil steady-state in the Betic Cordillera
NASA Astrophysics Data System (ADS)
Schoonejans, Jerome; Vanacker, Veerle; Opfergelt, Sophie; Granet, Mathieu; Chabaux, François
2015-04-01
The regolith mantel is produced by weathering of bedrock through physical and biochemical processes. At the same time, the upper part of the regolith is eroded by gravity mass movements, water and wind erosion. Feedback's between production and erosion of soil material are important for soil development, and are essential to reach long-term steady-state in soil chemical and physical properties. Nowadays, long-term denudation rates of regolith can be quantified by using in-situ cosmogenic nuclides (CRN). If the soil thickness remains constant over sufficiently long time, soil production rates can be determined. However, the a priori assumption of long-term steady-state can be questionable in highly dynamic environments. In this study, we present analytical data from two independent isotopic techniques, in-situ cosmogenic nuclides and Uranium series disequilibrium. The disequilibrium of Uranium isotopes (238U, 234U, 230Th, 226Ra) is an alternative method that allows assessing soil formation rates through isotopic analysis of weathering products. Nine soil profiles were sampled in three different mountain ranges of the Betic Cordillera (SE Spain): Sierra Estancias, Filabres, Cabrera. All soils overly fractured mica schist and are very thin (< 60cm). In each soil profile, we sampled 4 to 6 depth slices in the soil profile, the soil-bedrock interface and (weathered) bedrock. Three of the nine soil profiles were sampled for U-series isotope measurements at EOST (University of Strasbourg). The surface denudation rates (CRN) are about the same in the Sierra Estancias and Filabres (26 ± 10 mm/ky) and increase up to 103 ± 47 mm/ky in the Sierra Cabrera. The spatial variation in soil denudation rates is in agreement with the variation in catchment-wide denudation rates presented by Bellin et al. (2014) which present the highest rates in the Sierra Cabrera (104-246mm/kyr). Moreover it roughly coincides with the pattern of long-term exhumation of the Betic Cordillera. Results
Contrasting behavior in octupole structures observed at high spin in {sup 220}Ra and {sup 222}Th
Smith, J.F.; Cocks, J.F.C.; Schulz, N.; Aieche, M.; Bentaleb, M.; Butler, P.A.; Hannachi, F.; Jones, G.D.; Jones, P.M.; Julin, R.; Juutinen, S.; Kulessa, R.; Lubkiewicz, E.; Plochocki, A.; Riess, F.; Ruchowska, E.; Savelius, A.; Sens, J.C.; Simpson, J.; Wolf, E. |||||||
1995-08-07
Alternating-parity states connected by strong {ital E}1 transitions, characteristic of a reflection-asymmetric rotor, have been observed to high spins in the isotones {sup 220}Ra and {sup 222}Th. This level structure is observed up to {ital J}{sup {pi}}=29{sup {minus}}(31{sup {minus}}) in {sup 220}Ra while it cannot be seen beyond {ital J}{sup +}=24{sup +}(25{sup {minus}}) in {sup 222}Th. These observations are consistent with Woods-Saxon-Bogolyubov cranking calculations which predict that the yrast band of {sup 222}Th will undergo a shape transition at {ital J}=24{h_bar}, in contrast to that of {sup 220}Ra which maintains its reflection asymmetry to higher spins.
Sahoo, Tapas; Ghosh, Sandip; Adhikari, Satrajit; Sharma, Rahul; Varandas, António J C
2014-07-03
We explore a coupled three-dimensional (3D) time-dependent wave packet formalism in hyperspherical coordinates for a 4D reactive scattering problem on the lowest adiabatic singlet surface (1(1)A') of the D(+) + H2 reaction. The coupling among the wavepackets arises through quantization of the rotation matrix, which represents the orientation of the three particles in space. The required transformation from Jacobi to hyperspherical coordinates and vice versa during initialization and projection of the wave packet on the asymptotic state(s), and the coupled equations of motion, are briefly discussed. With the long-range potential known to contribute significantly on the D(+) + H2 system, we demonstrate the workability of our approach, where the convergence profiles of the reaction probability for the reactive noncharge transfer (RNCT) process [D(+) + H2(v=0, j=0,1) → HD(v',j') + H(+)] are shown for three different collisional energies (1.7, 2.1, and 2.5 eV) with respect to the helicity (K) and total angular momentum (J) quantum numbers. The calculated reactive cross-section is presented as a function of the collision energy for two different initial states of the diatom (v = 0, j = 0, 1).