Semiclassical Approximation Research Articles

Cavity-magnon-polariton spectroscopy of strongly hybridized electro-nuclear spin excitations in LiHoF4

We first present a formalism that incorporates the input-output formalism and the linear response theory to employ cavity-magnon-polariton coupling as a spectroscopic tool for investigating strongly hybridized electro-nuclear spin excitations. A microscopic relation between the generalized susceptibility and the scattering parameter |S11|\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$|S_{11}|$$\\end{document} in strongly hybridized cavity-magnon-polariton systems has been derived without resorting to semi-classical approximations. The formalism is then applied to both analyze and simulate a specific systems comprising a model quantum Ising magnet (LiHoF4\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {LiHoF}_4$$\\end{document}) and a high-finesse 3D re-entrant cavity resonator. Quantitative information on the electro-nuclear spin states in LiHoF4\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {LiHoF}_4$$\\end{document} is extracted, and the experimental observations across a broad parameter range were numerically reproduced, including an external magnetic field traversing a quantum critical point. The method potentially opens a new avenue not only for further studies on the quantum phase transition in LiHoF4\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {LiHoF}_4$$\\end{document} but also for a wide range of complex magnetic systems.

Classical mechanics in noncommutative spaces: confinement and more

We consider a semi-classical approximation to the dynamics of a point particle in a noncommutative space. In this approximation, the noncommutativity of space coordinates is described by a Poisson bracket. For linear Poisson brackets, the corresponding phase space is given by the cotangent bundle of a Lie group, with the Lie group playing the role of a curved momentum space. We show that the curvature of the momentum space may lead to rather unexpected physical phenomena such as an upper bound on the velocity of a free nonrelativistic particle, bounded motion for repulsive central force, and no-fall-into-the-centre for attractive Coulomb potential. We also consider a superintegrable Hamiltonian for the Kepler problem in 3-space with su(2)\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\mathfrak {su}(2)$$\\end{document} noncommutativity. The leading correction to the equations of motion due to noncommutativity is shown to be described by an effective monopole potential.

Flux qubit based detector of microwave photons

A theory of detection of microwave photons with a flux qubit based detector is presented. We consider a semiclassical approximation with the electromagnetic field being in a coherent state. The flux qubit is considered as a multilevel quantum system (qudit). By solving the Lindblad equation, we describe the time evolution of occupations of the qudit's levels for readout and reset stages of detection. When considering the reset stage, the time evolution is described by multiple avoided-level crossings, thus providing a multilevel Landau-Zener-Stückelberg-Majorana (LZSM) problem. In addition to numerical calculations, we present an approximate solution for the description of the reset stage dynamics based on the adiabatic-impulse approximation and rate equation approach. Our theory may be useful for the theoretical description of driven-dissipative dynamics of qudits, including applications such as single-photon detection. Published by the American Physical Society 2024

Application of semiclassical approximation to stochastic differential equations

Abstract A method for calculating the characteristics of stochastic differential equations using semiclassical approximation is proposed. For a stochastic differential equation arising in the study of the pure birth process (Yule process) and the Cox Ingersoll Ross (CIR) model, an analysis of the accuracy of the semiclassical approximation was carried out. This analysis is based on a comparison of approximate values with exact values for the mathematical expectation of a solution to the equation.

Computational advances for energy conversion: Unleashing the potential of thermoelectric materials

Thermoelectric (TE) materials have lately attracted a lot of attention and sparked a flurry of research because of their potential for energy conversion and broad spectrum of applications, including waste heat recovery, thermocouples, sensors, and refrigeration. Additionally, they could potentially be able to offer extremely effective and eco-friendly methods for energy production and harvesting, which might aid in addressing the world's energy concerns. Concerning the advancement in condensed matter physics, although a plethora of research has been devoted to identifying suitable TE materials over the years, there is still scope for the exploration of new materials. This review article strives to project extensive progress in the field of thermoelectricity, commencing with a discussion on various classes of TE materials scrutinized based on TE coefficients such as thermopower, power factor, and thermal conductivity computed within the framework of DFT, combined with an in-depth look at the computational techniques used. A wide range of prospective TE material classes, including chalcogenides, pnictides, oxides, perovskites, transition metal dichalcogenides (TMD), and a few more, are meticulously addressed, stressing the unique characteristics of each class in separate sections and subsections. SrAgChF (Ch = S, Se, Te), with its superlattice structure, boasts high thermopower for both carriers, making it ideal for power generation. Similarly, ThOCh (Ch = S, Se, Te) and NbX2Y2 (X = S, Se, Y = Cl, Br, I) chalcogen materials exhibit significant thermoelectric properties in both bulk and monolayer forms. Fe2GeCh4 (Ch = S, Se, Te) demonstrates exceptional anisotropic TE characteristics, advantageous for device applications. Structurally resembling chalcopyrites, Zn-based pnictides show high efficiency, validated by the analysis of power factor scaled by temperature and relaxation time (S2σT/τ: where S is thermopower, σ is electrical conductivity, S2σ is power factor, T is temperature and τ is the relaxation time). Moreover, CaLiPn (Pn = As, Sb, Bi) emerges as more favorable for TE applications than SrLiAs, displaying low lattice thermal conductivity. Among transition metal dichalcogenides (TMDs), OsX2 (S, Se, Te) exhibits high thermopower, while FeS2 displays remarkable thermoelectric properties in both marcasite and pyrite structural phases. In exploring 2D materials akin to graphene, ReS2's TE properties have been scrutinized across various forms, showcasing significant potential, especially when tailored for flexibility. Compounds like CaSrX (X = Si, Ge, Sn, Pb) and ZnGeSb2 exhibit notable TE features, indicating avenues for strain-engineered modulation of TE properties. Lattice dynamics play a pivotal role in TE efficiency, driving investigations into phonon dispersion and thermal properties across materials. CsAgO's remarkably low lattice thermal conductivity highlights its promise as a TE material. Despite the effectiveness of semiclassical approximations, accurately predicting transport parameters requires accounting for scattering effects. Incorporating such factors is essential for precise estimation of the thermoelectric figure of merit (ZT). Notably, CsAgO's low lattice thermal conductivity contributes to its effectiveness, boasting a ZT exceeding 1.4. Layered compounds like CuTlX (X = S, Se) exhibit extreme anisotropy in lattice thermal conductivity and achieve ZT values surpassing one at 300 K. LaAgXO (X = Se, Te) shows a high ZT exceeding 2.5, particularly under heavy carrier doping. The best aspects of the compounds studied, the future of TE materials in the context of device application, the development of flexible and wearable TE materials, and strategies for improving TE parameters are all discussed in this review's conclusion.

Entanglement entropy approach for examining quantum phase transition in the framework of semiclassical approximation: Testing its validity in Casten triangle

The entanglement entropy of s and d bosons in the framework of Interacting Boson Model -1 (IBM-1) has been obtained using consistent-Q formalism and semiclassical approximation. This has been possible by using Schmidt decomposition and expressing s and d bosons entanglement entropy in terms of Schmidt numbers. In this research, a simple method in the framework of IBM-1 has been presented for deriving the entanglement entropy in the Casten triangle. The results indicated that the entanglement entropy is sensitive to the shape-phase transition in the various regions of the Casten triangle. It was demonstrated that the entanglement entropy of s and d bosons in the semiclassical approximation depends only on the values of the deformation parameter (β) and is independent of the angular parameter (γ). Also, the entanglement entropy between s and d bosons reaches its maximum value in the O(6) limit, while it decreases in the SU(3) limit, and reaches zero in the U(5) limit. Based on the results obtained via Schmidt decomposition, it is shown that the probability distribution functions of the number of s bosons in IBM-1 are the binomial distributions. For NB≫1, it was proved that the distribution function in the SU(3), O(6) and SU(3)‾ limits is the Gaussian, and in the U(5) limit is the Poissonian.

Entropy correction of Kerr–Newman-AdS black hole in Rastall gravity under Lorentz symmetry violation

The tunneling of scalar particles and fermions across the event horizon of KN-AdS black hole surrounded by perfect fluid in Rastall theory are investigated in the frame dragging coordinate systems by applying modified Klein–Gordon equation and modified Dirac equation under the influence of Lorentz symmetry violation in curved spacetime. The Hawking temperature and the heat capacity of the black hole are modified due to the influence of Lorentz symmetry violation. The Hawking temperature and the Bekenstein–Hawking entropy of the black hole beyond the semiclassical approximation are also derived by taking the effects of Planck constant [Formula: see text]. The modified Hawking temperature and entropy correction of the black hole are dependent on the Lorentz violation parameter [Formula: see text], the ether-like vectors [Formula: see text] and Planck constant [Formula: see text].

Gravitational wave signatures of cogenesis from a burdened PBH

We explore the possibility of explaining the observed dark matter (DM) relic abundance, along with matter-antimatter asymmetry, entirely from the evaporation of primordial black holes (PBH) beyond the semi-classical approximation. We find that, depending on the timing of modification to the semi-classical approximation and the efficiency of the backreaction, it is possible to produce the correct DM abundance for PBHs with masses ≳ 𝒪 (103) g, whereas producing the right amount of baryon asymmetry requires light PBHs with masses ≲ 𝒪 (103) g, satisfying bounds on the PBH mass from the Cosmic Microwave Background and Big Bang Nucleosynthesis. However, in a simplistic scenario, achieving both simultaneously is not feasible, typically because of the stringent Lyman-α constraint on warm dark matter mass. In addition to DM and baryon asymmetry, we also investigate the impact of memory burden on dark radiation, evaporated from PBH, constrained by the effective number of relativistic degrees of freedom Δ N eff. Furthermore, we demonstrate how induced gravitational waves from PBH density fluctuations can provide a window to test the memory-burden effects, thereby placing constraints on either the DM mass scale or the scale of leptogenesis.

Quantum phase transitions and cat states in cavity-coupled quantum dots

We study double quantum dots coupled to a quasistatic cavity mode with high mode-volume compression allowing for strong light-matter coupling. Besides the cavity-mediated interaction, electrons in different double quantum dots interact with each other via dipole-dipole (Coulomb) interaction. There is a first-order cavity-induced ferroelectric quantum phase transition when the attractive dipolar interaction is smaller than the critical value defined by the energy splitting in DQDs and a smooth transition, otherwise. We show that, in the smooth transition region, both the ground and the first excited states of an array of double quantum dots are cat states. Such states are actively discussed as high-fidelity qubits for quantum computing, and thus our proposal provides a platform for semiconductor implementation of such qubits. We also calculate gauge-invariant observables such as the net dipole moment, the optical conductivity, and the absorption spectrum beyond the semiclassical approximation. The results are robust against cavity losses and variations of system parameters. Published by the American Physical Society 2024

PyCTRAMER: A Python package for charge transfer rate constant of condensed-phase systems from Marcus theory to Fermi's golden rule.

In this work, we introduce PyCTRAMER, a comprehensive Python package designed for calculating charge transfer (CT) rate constants in disordered condensed-phase systems at finite temperatures, such as organic photovoltaic (OPV) materials. PyCTRAMER is a restructured and enriched version of the CTRAMER (Charge-Transfer RAtes from Molecular dynamics, Electronic structure, and Rate theory) package [Tinnin et al. J. Chem. Phys. 154, 214108 (2021)], enabling the computation of the Marcus CT rate constant and the six levels of the linearized semiclassical approximations of Fermi's golden rule (FGR) rate constant. It supports various types of intramolecular and intermolecular CT transitions from the excitonic states to CT state. Integrating quantum chemistry calculations, all-atom molecular dynamics (MD) simulations, spin-boson model construction, and rate constant calculations, PyCTRAMER offers an automatic workflow for handling photoinduced CT processes in explicit solvent environments and interfacial CT in amorphous donor/acceptor blends. The package also provides versatile tools for individual workflow steps, including electronic state analysis, state-specific force field construction, MD simulations, and spin-boson model construction from energy trajectories. We demonstrate the software's capabilities through two examples, highlighting both intramolecular and intermolecular CT processes in prototypical OPV systems.

Quantum backreactions in (A)dS3 massive gravity and logarithmic asymptotic behavior

We study the interplay between higher-curvature terms and the backreaction of quantum fluctuations in three-dimensional massive gravity in asymptotically (anti–)de Sitter space. We focus on the theory at the special point of the parameter space where the two maximally symmetric vacua coincide. In the case of positive cosmological constant, this corresponds to the partially massless point, at which the classical theory admits de Sitter black holes and exhibits an extra conformal symmetry at linear level. We explicitly find the quantum corrected black hole geometry in the semiclassical approximation and show that it induces a relaxation of the standard asymptotic conditions. Nonetheless, the new asymptotic behavior is still preserved by an infinite-dimensional algebra, which, in addition to Virasoro, contains logarithmic supertranslations. Finally, we show that all the results we obtain for the quadratic massive gravity theory can be extended to theories including cubic and quartic terms in the curvature. Published by the American Physical Society 2024

New mass window for primordial black holes as dark matter from the memory burden effect

The mass ranges allowed for primordial black holes (PBHs) to constitute all of dark matter (DM) are broadly constrained. However, these constraints rely on the standard semiclassical approximation which assumes that the evaporation process is self-similar. Quantum effects such as memory burden take the evaporation process out of the semiclassical regime latest by the time the black hole loses half of its mass. What happens beyond this time is currently not known. However, theoretical evidence based on prototype models indicates that the evaporation slows down, thereby extending the lifetime of a black hole. This modifies the mass ranges constrained, in particular, by big bang nucleosynthesis (BBN) and cosmic microwave background spectral distortions. We show that previous constraints are largely relaxed when the PBH lifetime is extended, making it possible for PBHs to constitute all of DM in previously excluded mass ranges. In particular, this is the case for PBHs lighter than 109 g that enter the memory burden stage before BBN and are still present today as DM. Published by the American Physical Society 2024

Cosmological observatories

Abstract We study the static patch of de Sitter space in the presence of a timelike boundary. We impose that the conformal class of the induced metric and the trace of the extrinsic curvature, K, are fixed at the boundary. We present the thermodynamic structure of de Sitter space subject to these boundary conditions, for static and spherically symmetric configurations to leading order in the semiclassical approximation. In three spacetime dimensions, and taking K constant on a toroidal Euclidean boundary, we find that the spacetime is thermally stable for all K. In four spacetime dimensions, the thermal stability depends on the value of K. It is established that for sufficiently large K, the de Sitter static patch subject to conformal boundary conditions is thermally stable. This contrasts the Dirichlet problem for which the region encompassing the cosmological horizon has negative specific heat. We present an analysis of the linearised Einstein equations subject to conformal boundary conditions. In the worldline limit of the timelike boundary, the underlying modes are linked to the quasinormal modes of the static patch. In the limit where the timelike boundary approaches the cosmological event horizon, the linearised modes are interpreted in terms of the shear and sound modes of a fluid dynamical system. Additionally, we find modes with a frequency of positive imaginary part. Measured in a local inertial reference frame, and taking the stretched cosmological horizon limit, these modes grow at most polynomially.

Quantum effects on the evaporation of PBHs: contributions to dark matter

We compute the relic abundance of dark matter in the presence of Primordial Black Holes (PBHs) beyond the semiclassical approximation. We take into account the quantum corrections due to the memory burden effect, which is assumed to suppress the black hole evaporation rate by the inverse power of its own entropy. Such quantum effect significantly enhances the lifetime, rendering the possibility of PBH mass ≲ 109 g being the sole dark matter (DM) candidate. However, Nature can not rule out the existence of fundamental particles such as DM. We, therefore, include the possibility of populating the dark sector by the decay of PBHs to those fundamental particles, adding the contribution to stable PBH whose lifetime is extended due to the quantum corrections. Depending on the strength of the burden effect, we show that a wide range of parameter space opens up in the initial PBH mass and fundamental dark matter mass plane that respects the correct relic abundance.

Condensate and superfluid fraction of homogeneous Bose gases in a self-consistent Popov approximation

We study the condensate and superfluid fraction of a homogeneous gas of weakly interacting bosons in three spatial dimensions by adopting a self-consistent Popov approximation, comparing this approach with other theoretical schemes. Differently from the superfluid fraction, we find that at finite temperature the condensate fraction is a non-monotonic function of the interaction strength, presenting a global maximum at a characteristic value of the gas parameter, which grows as the temperature increases. This non-monotonic behavior has not yet been observed, but could be tested with the available experimental setups of ultracold bosonic atoms confined in a box potential. We clearly identify the region of parameter space that is of experimental interest to look for this behavior and provide explicit expressions for the relevant observables. Finite size effects are also discussed within a semiclassical approximation.

Derivation of dirac exchange interaction potential from quantum plasma kinetic theory

The Dirac exchange interaction is derived from recent quantum kinetic theory for collisionless plasmas. For this purpose, the kinetic equation is written in the semiclassical and long wavelength approximations. The validity of the model for real systems is worked out, in terms of temperature and density parameters. Within the region of applicability, the correlation potential energy is shown to be always smaller than the exchange contribution. From the moments of the quantum kinetic equations, macroscopic, hydrodynamic equations are found, for an electron-ion plasma. The Dirac exchange term is explicitly derived, in the case of a completely degenerate electron gas. These results show, within quantum kinetic theory for charged particle systems, a new view of the Dirac exchange interaction frequently used in density functional theory parametrization. Finally, a simpler form of the quantum plasma exchange kinetic theory is also found.

Black hole wavefunctions and microcanonical states

We consider the problem of defining a microcanonical thermofield double state at fixed energy and angular momentum from the gravitational path integral. A semiclassical approximation to this state is obtained by imposing a mixed boundary condition on an initial time surface. We analyze the corresponding boundary value problem and gravitational action. The overlap of this state with the canonical thermofield double state, which is interpreted as the Hartle-Hawking wavefunction of an eternal black hole in a mini-superspace approximation, is calculated semiclassically. The relevant saddlepoint is a higher-dimensional, rotating generalization of the wedge geometry that has been studied in two-dimensional gravity. Along the way we discuss a new corner term in the gravitational action that arises at a rotating horizon.

Time-Dependent Density Functional Theory for Atomic Collisions: A Progress Report

In this paper, the current status of time-dependent density functional theory (TDDFT)-based calculations for ion–atom collision problems is reviewed. Most if not all reported calculations rely on the semiclassical approximation of heavy particle collision physics and the time-dependent Kohn–Sham (TDKS) scheme for computing the electronic density of the system. According to the foundational Runge–Gross theorem, all information available about the electronic many-body system is encoded in the density; however, in practice it is often not known how to extract it without resorting to modelling and approximations. This is in addition to a necessarily approximate implementation of the TDKS scheme due to the lack of precise knowledge about the potential that drives the equations. Notwithstanding these limitations, an impressive body of work has been accumulated over the past few decades. A sample of the results obtained for various collision systems is discussed here, in addition to the formal underpinnings and theoretical and practical challenges of the application of TDDFT to atomic collision problems, which are expounded in mostly nontechnical terms. Open problems and potential future directions are outlined as well.

Holographic RG from an exact RG: Locality and general coordinate invariance in the bulk

In earlier papers it was shown that the correct kinetic term for scalar, vector gauge field and the spin two field in AdSD+1 space is obtained starting from the exact renormalization group (ERG) equation for a CFTD perturbed by scalar composite, conserved vector current, and conserved traceless energy momentum tensor respectively. In this paper interactions are studied, and it is shown that a flipped version of the Polchinski ERG equation that evolves toward the UV can be written down and is useful for making contact with the usual AdS/CFT prescriptions for correlation function calculations. The scalar-scalar-spin-2 interaction in the bulk is derived from the ERG equation in the large N semiclassical approximation. It is also shown that after mapping to AdS the interaction is local on a scale of the bare cutoff rather than the moving cutoff (which would have corresponded to the anti–de Sitter scale). The map to AdSD+1 plays a crucial role in this locality. The local nature of the coupling ensures that this interaction term in the bulk action is obtained by gauge fixing a general coordinate invariant scalar kinetic term in the bulk action. A wave function renormalization of the scalar field is found to be required for a mutually consistent map of the two fields to AdSD+1. Published by the American Physical Society 2024

ℏ 4 quantum corrections to semiclassical transmission probabilities

The combination of vibrational perturbation theory with the replacement of the harmonic oscillator quantization condition along the reaction coordinate with an imaginary action to be used in the uniform semiclassical approximation for the transmission probability has been shown in recent years to be a practical method for obtaining thermal reaction rates. To date, this theory has been developed systematically only up to second order in perturbation theory. Although it gives the correct leading order term in an ℏ2 expansion, its accuracy at lower temperatures, where tunneling becomes important, is not clear. In this paper, we develop the theory to fourth order in the action. This demands developing the quantum perturbation theory up to sixth order. Remarkably, we find that the fourth order theory gives the correct ℏ4 term in the expansion of the exact thermal rate. The relative magnitude of the fourth order correction as compared to the second order term objectively indicates the accuracy of the second order theory. We also extend the previous modified second order theory to the fourth order case, creating an ℏ2 modified potential for this purpose. The resulting theory is tested on the standard examples—symmetric and asymmetric Eckart potentials and a Gaussian potential. The modified fourth order theory is remarkably accurate for the asymmetric Eckart potential.