Semiclassical Description Research Articles

Quantum thermo-dynamical construction for driven open quantum systems

Quantum dynamics of driven open systems should be compatible with both quantum mechanic and thermodynamic principles. By formulating the thermodynamic principles in terms of a set of postulates we obtain a thermodynamically consistent master equation. Following an axiomatic approach, we base the analysis on an autonomous description, incorporating the drive as a large transient control quantum system. In the appropriate physical limit, we derive the semi-classical description, where the control is incorporated as a time-dependent term in the system Hamiltonian. The transition to the semi-classical description reflects the conservation of global coherence and highlights the crucial role of coherence in the initial control state. We demonstrate the theory by analyzing a qubit controlled by a single bosonic mode in a coherent state.

Semiclassical descriptions of rotational transitions in natural and shifted angles: Analysis of unexpected results.

In the semiclassical theory of rotational transitions, S-matrix elements are expressed as integrals over initial and final angles of probability amplitudes calculated along the classical paths joining these angles, before final passage to an initial value representation [W. H. Miller, J. Phys. Chem. A 105, 2942 (2001)]. These angles can be either natural angles fixing the orientation of the rotor or angles shifted with respect to the previous ones so as to vary only within the interaction region causing the transitions. The two approaches, however, were recently shown to lead to different predictions. While the theory in natural angles lacks precision and exhibits unphysical behavior, the theory in shifted angles is much more accurate and physically well behaved [L. Bonnet, J. Chem. Phys. 153, 174102 (2020)]. The present work is devoted to the analysis of this unexpected finding.

Trapped ion in an optical cavity: Numerical study of an optomechanical transition in the few-photon regime

We consider an optomechanical system composed by a trapped ion dispersively coupled to a single mode of a pumped optical cavity. We focus in a parameter range for which the semiclassical description predicts two clearly distinct equilibrium configurations in the limits of small and large photon pumping, while a bistable regime is found for intermediate pumping. This semiclassical description, however, is not valid in close proximity of the system transitions or when the mean photon number is low. Here we provide a numerical analysis of the fully quantum state in the few-photon regime, exploring the features of the asymptotic state across the transition and analyzing possible markers of semiclassical bistability. We find an increase in the entropy of the system and of the entanglement in the transition region, but no clear signatures of metastability in the spectrum of the evolution.

Emergent gravity from stochastic fluctuations

It is possible that both the classical description of spacetime and the rules of quantum field theory emerge from a more-fundamental structure of physical law. Pregeometric frameworks transfer some of the puzzles of quantum gravity to a semiclassical arena where those puzzles pose less of a challenge. However, in order to provide a satisfactory description of quantum gravity, a semiclassical description must emerge and contain in its description a macroscopic spacetime geometry, dynamical matter, and a gravitational interaction consistent with general relativity at long distances. In this essay, we argue that a framework that includes a stochastic origin for quantum field theory can provide both the emergence of classical spacetime and a quantized gravitational interaction.

Coulomb excitation of Kr80,82 and a change in structure approaching N=Z=40

Background: Nuclei approaching N=Z=40 are known to exhibit strongly deformed structures and are thought to be candidates for shape coexistence. In the krypton isotopes, Kr80,82 are poorly characterized, preventing an understanding of evolving deformation approaching N=40. Purpose: The present work aims to determine electric quadrupole transition strengths and quadrupole moments of Kr80,82 in order to better characterize their deformation. Methods: Sub-barrier Coulomb excitation was employed, impinging the isotopes of krypton on Pt196 and Pb208 targets. Utilizing a semiclassical description of the safe Coulomb-excitation process E2 matrix elements could then be determined. Results: Eleven new or improved matrix elements are determined in Kr80 and seven in Kr82. The new B(E2;01+→21+) value in Kr82 disagrees with the evaluated value by 3σ, which can be explained in terms of deficiencies in a previous Coulomb-excitation analysis. Conclusions: Comparison of measured Qs(21+) and B(E2;01+→21+) values indicates that neutron-deficient (N≤42) isotopes of krypton are closer to axial deformation than other isotopic chains in the mass region. A continuation of this trend to higher Z may result in Sr and Zr isotopes exhibiting near-axial prolate deformation.1 MoreReceived 19 July 2021Revised 1 September 2021Accepted 28 September 2021DOI:https://doi.org/10.1103/PhysRevC.104.044313©2021 American Physical SocietyPhysics Subject Headings (PhySH)Research AreasCollective levelsElectromagnetic transitionsSpectroscopic factors & electromagnetic momentsProperties59 ≤ A ≤ 89Nuclear Physics

Analysis of atomic Pauli potentials and their large-Z limit.

Modeling the Pauli energy, the contribution to the kinetic energy caused by Pauli statistics, without using orbitals is the open problem of orbital-free density functional theory. An important aspect of this problem is correctly reproducing the Pauli potential, the response of the Pauli kinetic energy to a change in density. We analyze the behavior of the Pauli potential of non-relativistic neutral atoms under Lieb-Simon scaling-the process of taking nuclear charge and particle number to infinity, in which the kinetic energy tends to the Thomas-Fermi limit. We do this by mathematical analysis of the near-nuclear region and by calculating the exact orbital-dependent Pauli potential using the approach of Levy and Ouyang for closed-shell atoms out to element Z = 976. In rough analogy to Lieb and Simon's own findings for the charge density, we find that the potential does not converge smoothly to the Thomas-Fermi limit on a point-by-pointbasis but separates into several distinct regions of behavior. Near the nucleus, the potential approaches a constant given by the difference in energy between the lowest and highest occupied eigenvalues. We discover a transition region in the outer core where the potential deviates unexpectedly and predictably from both the Thomas-Fermi potential and the gradient expansion correction to it. These results may provide insight into the semi-classical description of Pauli statistics and new constraints to aid the improvement of orbital-free density functional theory functionals.

Semiclassical description of electron dynamics in extended systems under intense laser fields

We propose a semi-classical approach based on the Vlasov equation to describe the time-dependent electronic dynamics in a bulk simple metal under an ultrashort intense laser pulse. We include in the effective potential not only the ionic Coulomb potential and mean-field electronic Coulomb potential from the one-body electron distribution but also the exchange-correlation potential within the local density approximation (LDA). The initial ground state is obtained by the Thomas-Fermi model. To numerically solve the Vlasov equation, we extend the pseudo-particle method, previously used for nuclei and atomic clusters, to solids, taking the periodic boundary condition into account. We apply the present implementation to a bulk aluminum (FCC) conventional unit cell irradiated with a short laser pulse. The optical conductivity, refractive index, extinction coefficient, and reflectivity as well as energy absorption calculated with the Vlasov-LDA method are in excellent agreement with the results by the time-dependent density functional theory and experimental references.

Moiré lattice effects on the orbital magnetic response of twisted bilayer graphene and Condon instability

We analyze the orbital magnetic susceptibility from the band structure of twisted bilayer graphene. Close to charge neutrality, the out-of-plane susceptibility inherits the strong diamagnetic response from graphene. Increasing the doping, a crossover from diamagnetism to paramagnetism is obtained and a logarithmic divergence develops at the van Hove singularity of the Moir\'e lattice in the first band. The enhanced paramagnetism at the van Hove singularity is stronger for relatively large angle but gets suppressed by the flat spectrum towards the vicinity of the first magic angle. A diverging paramagnetic susceptibility indicates an instability towards orbital ferromagnetism with an orbital out-of-plane magnetization and a Landau level structure. The region of instability is however found to be practically very small, parametrically suppressed by the ratio of the electron velocity to the speed of light. We also discuss the in-plane orbital susceptibility at charge neutrality where we find a paramagnetic response and a logarithmic divergence at the magic angle. The paramagnetic response is associated with negative counterflow current in the two layers and does not admit a semiclassical description.

Semiclassical description of nuclear dynamics moving through complex-valued single avoided crossings of two electronic states.

The standard fewest-switches surface hopping (FSSH) approach fails to model nonadiabatic dynamics when the electronic Hamiltonian is complex-valued and there are multiple nuclear dimensions; FSSH does not include geometric magnetic effects and does not have access to a gauge independent direction for momentum rescaling. In this paper, for the case of a Hamiltonian with two electronic states, we propose an extension of Tully's FSSH algorithm, which includes geometric magnetic forces and, through diabatization, establishes a well-defined rescaling direction. When combined with a decoherence correction, our new algorithm shows satisfying results for a model set of two-dimensional single avoided crossings.

Semiclassical Modified Redfield and Generalized Förster Theories of Exciton Relaxation/Transfer in Light-Harvesting Complexes: The Quest for the Principle of Detailed Balance

A conceptual problem of transfer theories that use a semiclassical description of the electron-vibrational coupling is the neglect of the correlation between momenta and coordinates of nuclei. In the Redfield theory of exciton relaxation, this neglect leads to a violation of the principle of detailed balance; equal “uphill” and “downhill” transfer rate constants are obtained. Here, we investigate how this result depends on nuclear reorganization effects, neglected in Redfield but taken into account in the modified Redfield theory. These reorganization effects, resulting from a partial localization of excited states, are found to promote a preferential “downhill” relaxation of excitation energy. However, for realistic spectral densities of light-harvesting antennae in photosynthesis, the reorganization effects are too small to compensate for the missing coordinate–momentum uncertainty. For weaker excitonic couplings as they occur between domains of strongly coupled pigments, we find the principle of detailed balance to be fulfilled in a semiclassical variant of the generalized Förster theory. A qualitatively correct description of the transfer is obtained with this theory at a significantly lower computational cost as with the quantum generalized Förster theory. Larger deviations between the two theories are expected for large energy gaps as they occur in complexes with chemically different pigments.

The quantum and electromagnetic process of photon emission by the hydrogen atom

Light emitted from atoms during transitions of electrons from higher to lower discrete states has the form of photons carrying energy and angular momentum. This paper considers the process of emission of a single photon from the hydrogen atom by using quantum theory and Maxwell's equations [W. Gough, Eur. J. Phys. 17, 208, 1996; L. D. Landau and E. M. Lifshitz, Quantum Mechanics (Pergamon Press, Oxford, 1965); J. D. Jackson, Classical Electrodynamics (John Wiley & Son, New York, 1975, 1982); P. M. Morse and H. Feshbach, Methods of Theoretical Physics (McGraw-Hill Book Company, Inc., New York, 1953)]. The electric and magnetic fields of a photon arise from the time-dependent quantum probability densities of the orbit and the spin current. This paper is an extension of the semiclassical description of photon emission published by the author earlier in 1999 [M. Kowalski, Phys. Essays 12, 312 (1999)]. In the semiclassical approach, the Coulomb force and a radiation resistance force have been taken into account to get time-dependent emission of the photon. In both the quantum and semiclassical cases, the transition takes place within a time interval equal to one period of the photon's wave. The creation of a one-wavelength-long photon is supported by the results of experiments using ultrafast (ultrashort) laser pulses to generate excited atoms, which emit light pulses shorter than two photon wavelengths [F. Krausz and M. Ivanov, Rev. Mod. Phys. 81, 163 (2009); H. Kapteyn and M. Murnane, Phys. World 12, 31 (1999)].

Continuum analogs of excited-state quantum phase transitions

Following our work [Phys. Rev. Lett. 125, 020401 (2020)], we discuss a semiclassical description of one-dimensional quantum tunneling through multibarrier potentials in terms of complex time. We start by defining a complex-extended continuum level density of unbound systems and show its relation to a complex time shift of the transmitted wave. While the real part of the level density and time shift describes the passage of the particle through classically allowed coordinate regions, the imaginary part is connected with an instanton-like picture of the tunneling through forbidden regions. We describe singularities in the real and imaginary parts of the level density and time shift caused by stationary points of the tunneling potential, and show that they represent a dual extension of excited-state quantum phase transitions from bound to continuum systems. Using the complex scaling method, we numerically verify the predicted effects in several tunneling potentials.

Intrinsic Anomalous Hall Conductivity in a Nonuniform Electric Field.

We study how the intrinsic anomalous Hall conductivity is modified in two-dimensional crystals with broken time-reversal symmetry due to weak inhomogeneity of the applied electric field. Focusing on a clean noninteracting two-band system without band crossings, we derive the general expression for the Hall conductivity at small finite wave vector q to order q^{2}, which governs the Hall response to the second gradient of the electric field. Using the Kubo formula, we show that the answer can be expressed through the Berry curvature, Fubini-Study quantum metric, and the rank-3 symmetric tensor which is related to the quantum geometric connection and physically corresponds to the gauge-invariant part of the third cumulant of the position operator. We further compare our results with the predictions made within the semiclassical approach. By deriving the semiclassical equations of motion, we reproduce the result obtained from the Kubo formula in some limits. We also find, however, that the conventional semiclassical description in terms of the definite position and momentum of the electron is not fully consistent because of singular terms originating from the Heisenberg uncertainty principle. We thus present a clear example of a case when the semiclassical approach inherently suffers from the uncertainty principle, implying that it should be applied to systems in nonuniform fields with extra care.

Quantum coherence resonance

It is shown that coherence resonance, a phenomenon in which regularity of noise-induced oscillations in nonlinear excitable systems is maximized at a certain optimal noise intensity, can be observed in quantum dissipative systems. We analyze a quantum van der Pol system subjected to squeezing, which exhibits bistable excitability in the classical limit, by numerical simulations of the quantum master equation. We first demonstrate that quantum coherence resonance occurs in the semiclassical regime, namely, the regularity of the system’s oscillatory response is maximized at an optimal intensity of quantum fluctuations, and interpret this phenomenon by analogy with classical noisy excitable systems using semiclassical stochastic differential equations. This resonance persists under moderately strong quantum fluctuations for which the semiclassical description is invalid. Moreover, we investigate even stronger quantum regimes and demonstrate that the regularity of the system’s response can exhibit the second peak as the intensity of the quantum fluctuations is further increased. We show that this second peak of resonance is a strong quantum effect that cannot be interpreted by a semiclassical picture, in which only a few energy states participate in the system dynamics.

Horizons and the wave function of Planckian quantum black holes

At the Planck scale the distinction between elementary particles and black holes becomes fuzzy. The very definition of a “quantum black hole” (QBH) is an open issue. Starting from the idea that, at the Planck scale, the radius of the event horizon undergoes quantum oscillations, we introduce a black hole mass-radius Generalized Uncertainty Principle (GUP) and derive a corresponding gravitational wavelength. Next we recover a GUP encoding effective geometry. This semi-classical gravitational description admits black hole configurations only for masses higher than the Planck mass. Quantum corrections lead to a vanishing Hawking temperature when the Planck mass is approached from above. Finally we replace our semi-classical model by a relativistic wave equation for the “horizon wave function”. The solution admits a discrete mass spectrum which is bounded from below by a stable ground state with energy close to the Planck mass. Interestingly higher angular momentum states fit onto Regge trajectories indicating their stringy nature.

Coherent seeding of the dynamics of a spinor Bose-Einstein condensate: From quantum to classical behavior

We present experiments revealing the competing effect of quantum fluctuations and of a coherent seed in the dynamics of a spin-1 Bose-Einstein condensate, and discuss the relevance of a mean-field description of our system. We first explore a near-equilibrium situation, where the mean-field equations can be linearized around a fixed point corresponding to all atoms in the same Zeeman state $m=0$. Preparing the system at this classical fixed point, we observe a reversible dynamics triggered by quantum fluctuations, which cannot be understood within a classical framework. We demonstrate that the classical description becomes accurate provided a coherent seed of a few atoms only is present in the other Zeeman states $m= \pm 1$. In a second regime characterized by a strong non-linearity of the mean-field equations, we observe a collapse dynamics driven by quantum fluctuations. This behavior cannot be accounted for by a classical description and persists for a large range of initial states. We show that all our experimental results can be explained with a semi-classical description (truncated Wigner approximation), using stochastic classical variables to model the quantum noise.

Semiclassical treatment of quantum chaotic transport with a tunnel barrier

We consider the problem of a semiclassical description of quantum chaotic transport, when a tunnel barrier is present in one of the leads. Using a semiclassical approach formulated in terms of a matrix model, we obtain transport moments as power series in the reflection probability of the barrier, whose coefficients are rational functions of the number of open channels M. Our results are therefore valid in the quantum regime and not only when M ≫ 1. The expressions we arrive at are not identical with the corresponding predictions from random matrix theory, but are in fact much simpler. Both theories agree as far as we can test.

Conical spaces, modular invariance and cp,1 holography

We propose a non-unitary example of holography for the family of two-dimensional logarithmic conformal field theories with negative central charge c = cp,1 = −6p + 13 − 6p−1. We argue that at large p, these models have a semiclassical gravity-like description which contains, besides the global AdS3 spacetime, a tower of solitonic solutions describing conical excess angles. Evidence comes from the fact that the central charge and the natural modular invariant partition function of such a theory coincide with those of the cp,1 model. These theories have an extended chiral W-algebra whose currents have large spin of order |c|, and which in the bulk are realized as spinning conical solutions. As a by-product we also find a direct link between geometric actions for exceptional Virasoro coadjoint orbits, which describe fluctuations around the conical spaces, and Felder’s free field construction of degenerate representations.

The basis of the semiclassical description of electron transport in solids

The theoretical account of electron transport in crystalline solids is often taught to graduate students through a semiclassical equation, which is a classical kinetic equation amended with elements of quantum physics in a non-systematic way. This blending of classical and quantal elements accounts for many experimental features of electron transport, save for a few ones observed over short distances. For students acquainted with solid-state quantum mechanics, it is preferable to derive the semiclassical equation from quantum dynamics so as to pinpoint the shortcomings and approximations underlying the semiclassical picture of transport. This paper explores the pathway leading from quantum dynamics to semiclassical kinetics within a simplified model not exceeding the proficiencies of a graduate student in physics or electronic engineering. In this model an electron moves in a crystal under the joint influences of the periodic crystal potential, an external electrostatic field and a set of lattice imperfections haphazardly distributed in the crystal volume. The first influence is treated exactly by means of standard energy-band theory and the other two are handled perturbatively. Following a procedure already tested in free-space issues, we replace Schrödinger’s wave function in position space with a Wigner function defined in the phase (position–pseudomomentum) space of semiclassical kinetics. The dynamical equation on the Wigner function is worked out and approximated so as to retrieve the semiclassical equation. The errors incurred in making use of the latter are assessed quantitatively. It is explained how a time-irreversible evolution equation—governing a phase-space occupancy—arises from reversible Schrödinger dynamics—governing a complex-valued probability amplitude. Besides clarifying the foundation of the semiclassical picture of electron transport and providing an explicit quantum-coherence correction to that picture, this paper may help students in general physics to better grasp, in a concrete issue, the interplay between classical and quantum concepts.

Semi-classical approximation description of static properties of nuclei

In this paper, we present recent development in semi-classical description of static properties of nuclei. By employing the Wigner transform, we derive simple semiclassical approximations for evaluating properties of nuclear system. We present results of calculations of static properties, using the energy density functional associated with Skyrme effective nucleon–nucleon interaction. In particular, we consider properties of the Wigner distribution function, line of beta stability, Coulomb and symmetry energies, deformation energies, equation of state, nuclear radii, and single-particle level density.