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arXiv:2305.02026 · Physical Review Research

Kinetic energy equipartition: A tool to characterize quantum thermalization

Carlos F. Destefani, Xavier Oriols

Published Sep 8, 2023• 2 citations
arXivHTMLPDF

Abstract

According to both Bohmian and stochastic quantum mechanics, the standard quantum mechanical kinetic energy can be understood as consisting of two hidden-variable components. One component is associated with the current (or Bohmian) velocity, while the other is associated with the osmotic velocity (or quantum potential), and they are identified with the phase and the amplitude, respectively, of the wave function. These two components are experimentally accessible through the real and imaginary parts of the weak value of the momentum postselected in position. In this paper, a kinetic energy equipartition is presented as a signature of quantum thermalization in closed systems. This means that the expectation value of the standard kinetic energy is equally shared between the expectation values of the squares of these two hidden-variable components. Such components cannot be reached from expectation values linked to typical Hermitian operators. To illustrate these concepts, numerical results for the nonequilibrium dynamics of a few-particle harmonic trap under random disorder are presented. Furthermore, the advantages of using the center-of-mass frame of reference for dealing with systems containing many indistinguishable particles are also discussed.

DOI
10.1103/physrevresearch.5.033168

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According to both Bohmian and stochastic quantum mechanics, the standard quantum mechanical kinetic energy can be understood as consisting of two hidden-variable components. One component is associated with the current (or Bohmian) velocity, while the other is associated with the osmotic velocity (or quantum potential), and they are identified with the phase and the amplitude, respectively, of the wave function. These two components are experimentally accessible through the real and imaginary parts of the weak value of the momentum postselected in position. In this paper, a kinetic energy equipartition is presented as a signature of quantum thermalization in closed systems. This means that the expectation value of the standard kinetic energy is equally shared between the expectation values of the squares of these two hidden-variable components. Such components cannot be reached from expectation values linked to typical Hermitian operators. To illustrate these concepts, numerical results for the nonequilibrium dynamics of a few-particle harmonic trap under random disorder are presented. Furthermore, the advantages of using the center-of-mass frame of reference for dealing with systems containing many indistinguishable particles are also discussed.
One of the fundamental laws of classical statistical physics is the energy equipartition theorem which states that for each degree of freedom the average kinetic energy equals Ek=kBT/2E_k=k_B T/2Ek​=kB​T/2, where kBk_BkB​ is the Boltzmann constant and TTT is temperature of the system. Despite the fact that quantum mechanics has already been developed for more than 100 years still there is no quantum counterpart of this theorem. We attempt to fill this far-reaching gap and formulate the quantum law for equipartition of energy in the appealing form Ek=⟨Ek⟩E_k = \langle \mathcal E_k \rangleEk​=⟨Ek​⟩, where Ek\mathcal E_kEk​ is thermal kinetic energy per one degree of freedom of the thermostat consisting of harmonic oscillators and ⟨...⟩\langle ...\rangle⟨...⟩ denotes averaging over frequencies ω\omegaω of those thermostat oscillators which contribute to EkE_kEk​ according to the probability distribution P(ω)\mathbb P(\omega)P(ω). We derive it for two paradigmatic and exactly solvable models of quantum open systems: a free Brownian particle and a harmonic oscillator. We formulate conditions for validity of the relation Ek=⟨Ek⟩E_k = \langle \mathcal E_k \rangleEk​=⟨Ek​⟩ for other quantum systems.
Abstract One of the fundamental laws of classical statistical physics is the energy equipartition theorem which states that for each degree of freedom the mean kinetic energy E k equals , where is the Boltzmann constant and T is the temperature of the system. Despite the fact that quantum mechanics has already been developed for more than 100 years, still there is no quantum counterpart of this theorem. We attempt to fill this far-reaching gap and consider the simplest system, i.e. the Caldeira–Leggett model for a free quantum Brownian particle in contact with a thermostat consisting of an infinite number of harmonic oscillators. We prove that the mean kinetic energy E k of the Brownian particle equals the mean kinetic energy per one degree of freedom of the thermostat oscillators, i.e. . We show that this relation can be obtained from the fluctuation–dissipation theorem derived within the linear response theory and is universal in the sense that it holds true for any linear and non-linear systems in contact with a bosonic thermostat.
Since its inception Bohmian mechanics has been generally regarded as a hidden-variable theory aimed at providing an objective description of quantum phenomena. To date, this rather narrow conception of Bohm’s proposal has caused it more rejection than acceptance. Now, after 65 years of Bohmian mechanics, should still be such an interpretational aspect the prevailing appraisal? Why not favoring a more pragmatic view, as a legitimate picture of quantum mechanics, on equal footing in all respects with any other more conventional quantum picture? These questions are used here to introduce a discussion on an alternative way to deal with Bohmian mechanics at present, enhancing its aspect as an efficient and useful picture or formulation to tackle, explore, describe and explain quantum phenomena where phase and correlation ( entanglement ) are key elements. This discussion is presented through two complementary blocks. The first block is aimed at briefly revisiting the historical context that gave rise to the appearance of Bohmian mechanics, and how this approach or analogous ones have been used in different physical contexts. This discussion is used to emphasize a more pragmatic view to the detriment of the more conventional hidden-variable (ontological) approach that has been a leitmotif within the quantum foundations. The second block focuses on some particular formal aspects of Bohmian mechanics supporting the view presented here, with special emphasis on the physical meaning of the local phase field and the associated velocity field encoded within the wave function. As an illustration, a simple model of Young’s two-slit experiment is considered. The simplicity of this model allows to understand in an easy manner how the information conveyed by the Bohmian formulation relates to other more conventional concepts in quantum mechanics. This sort of pedagogical application is also aimed at showing the potential interest to introduce Bohmian mechanics in undergraduate quantum mechanics courses as a working tool rather than merely an alternative interpretation.
We revisit the concept of entanglement within the Bohmian approach to quantum mechanics. Inspired by Bohmian dynamics, we introduce two partial measures for the amount of entanglement corresponding to a pure state of a pair of quantum particles. One of these measures is associated with the statistical correlations exhibited by the joint probability density of the two Bohmian particles in configuration space. The other partial measure corresponds to the correlations associated with the phase of the joint wave function, and describes the non-separability of the Bohmian velocity field. The sum of these two components is equal to the total entanglement of the joint quantum state, as measured by the linear entropy of the single-particle reduced density matrix.
In classical statistical mechanics, C exp[ -( mv*v/2 + V(x))/T) represents density i.e. the probability for a particle to have a velocity v and be at x. If applies this probability to Shannon’s entropy formula, one obtains C/T ( mv*v/2 + V(x)) exp[ -( mv*v/2 + V(x))/T) + exp[ -( mv*v/2 + V(x))/T) ln(C). Thus, it seems energy times density + density times ln(C) is the entropy density, a well known result in classical statistical mechanics, although sometimes not explicitly stated. The first term integrated over x is essentially the kinetic energy, while the second integrated over velocity yields the potential energy term. Thus, the first term partial density seems to be a purely momentum dependent kinetic energy piece times probability and the second a purely x dependent potential energy piece. (There is still an integral over velocity for the first term and one over x for the second to obtain the full entropy.) In quantum mechanics, we argue that a(p1)exp(ip1 x) a(p2) exp(ip2 x) serves as the probability where W(x)=Sum over p a(p) exp(ipx) = wavefunction. This leads to an expression for entropy density with two terms, one of which may be immediately integrated over momentum and the other over space. If one wishes to make a link to the classical statistical mechanical case, one may ask what requirement is necessary for the momentum related piece to represent average kinetic energy and the spatial part, average potential energy. The requirement, we find, yields the wavefunction of the ground state harmonic oscillator. For other cases, the partial density is not equivalent to average energy. Thus, we try to establish a link between entropy density and energy density, but require the kinetic energy related term to be strictly a function of momentum and the potential related term strictly one of x. In quantum mechanics, one may form averages at a point x. For example, KEave(x)= [Sum over p p*p/2m a(p) exp(ipx)]/W(x). If one examines a p/-p pair with a(p)=a(-p) (for example), cos(px) terms arise which are positive at some x and negative at others. We argued in previous notes that this represents stochastic flow in the opposite direction from that expected by -dV/dx. In other words, -dV/dx is an average which consists of stochastic force addends which may give momentum hits to the right or left, but which add to yield -dV/dx. As a result, one may have negative contributions to the kinetic energy (and density as well). In this note, we argue one may also have negative contributions to the entropy density due to this phenomenon.
We systematically analyze Holland's local expectation values within Bohmian mechanics, referring to them as weak actual values to emphasize their connection with weak measurement theory. We derive the exact time evolution equation for these quantities along a Bohmian trajectory and formally establish their correspondence with the real part of the weak value under position postselection. The explanatory power of this framework is demonstrated by revisiting a recent waveguide experiment: we show that the measured quantity corresponds to the imaginary part of the momentum weak value, which reflects the spatial decay of the wave field, not the particle velocity. This cleanly clarifies the distinct physical roles of the real and imaginary parts of weak values.