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arXiv:1511.03989 · Journal of Statistical Mechanics Theory and Experiment

Local energy and power in many-particle quantum systems driven by an external electrical field

Guillermo Albareda, Fabio L. Traversa, Xavier Oriols

Published May 1, 2016• 1 citation
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Abstract

Abstract We derive expressions for the expectation values of the local energy and the local power for a many-particle system of (scalar) charged particles interacting with an external electrical field. In analogy with the definition of the (local) current probability density, we construct a local energy operator such that the time-rate of change of its expectation value provides information on the spatial distribution of power. Results are presented as functions of an arbitrarily small volume Ω , and physical insights are discussed by means of the quantum hydrodynamical representation of the wavefunction, which is proven to allow for a clear-cut separation into contributions with and without classical correspondence. Quantum features of the local power are mainly manifested through the presence of non-local sources/sinks of power and through the action of forces with no classical counterpart. Many-particle classical-like effects arise in the form of current-force correlations and through the inflow/outflow of energy across the boundaries of the volume Ω . Interestingly, all these intriguing features are only reflected in the expression of the local power when the volume Ω is finite. Otherwise, for closed systems with Ω → ∞ , we recover a classical-like single-particle expression.

DOI
10.1088/1742-5468/2016/05/054026

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Abstract We derive expressions for the expectation values of the local energy and the local power for a many-particle system of (scalar) charged particles interacting with an external electrical field. In analogy with the definition of the (local) current probability density, we construct a local energy operator such that the time-rate of change of its expectation value provides information on the spatial distribution of power. Results are presented as functions of an arbitrarily small volume Ω , and physical insights are discussed by means of the quantum hydrodynamical representation of the wavefunction, which is proven to allow for a clear-cut separation into contributions with and without classical correspondence. Quantum features of the local power are mainly manifested through the presence of non-local sources/sinks of power and through the action of forces with no classical counterpart. Many-particle classical-like effects arise in the form of current-force correlations and through the inflow/outflow of energy across the boundaries of the volume Ω . Interestingly, all these intriguing features are only reflected in the expression of the local power when the volume Ω is finite. Otherwise, for closed systems with Ω → ∞ , we recover a classical-like single-particle expression.
We regard the non-relativistic Schrödinger equation as an ensemble mean representation of the stochastic motion of a single particle in a vacuum, subject to an undefined stochastic quantum force. The local mean of the quantum force is found to be proportional to the third spatial derivative of the probability density function, while its associated pressure is proportional to the second spatial derivative. The latter arises from the single particle diluted gas pressure, and this observation allows to interpret the quantum Bohm potential as the energy required to put a particle in a bath of fluctuating vacuum at constant entropy and volume. The stochastic force expectation value is zero and is uncorrelated with the particle location, thus does not perform work on average. Nonetheless, it is anti-correlated with volume and this anti-correlation leads to an uncertainty relation. We analyze the dynamic Gaussian solution to the Schrödinger equation as a simple example for exploring the mean properties of this quantum force. We conclude with a few possible interpretations as to the origins of quantum stochasticity.
There has been an enduring interest and controversy about whether or not one can define physically meaningful energy density and stress fields, e(r)e(\mathbf{r})e(r) and ${\ensuremath{\sigma}}_{\ensuremath{\alpha}\ensuremath{\beta}}(\mathbf{r})$, in quantum systems. A key issue is the kinetic energy since the well-known forms, $\frac{1}{2}{|\mathbf{\ensuremath{\nabla}}\mathrm{\ensuremath{\Psi}}|}^{2}$ and $\ensuremath{-}\frac{1}{2}\mathrm{\ensuremath{\Psi}}{\ensuremath{\nabla}}^{2}\mathrm{\ensuremath{\Psi}}$, lead to different densities, and analogous issues arise for interaction energy terms. This paper considers the ground state of a system of many interacting particles in an external potential, and presents a resolution to the problems in steps. (1) For the kinetic energy all effects of exchange and correlation are shown to be unique functions defined at each point r\mathbf{r}r; all issues of nonuniqueness are relegated to terms that involve only the density n(r)n(\mathbf{r})n(r) and are equivalent to an effective single-particle problem with ground state wave function s(r)=n(r)/Ns(\mathbf{r})=\sqrt{n(\mathbf{r})/N}s(r)=n(r)/N​. (2) Interactions can be considered in two ways: in terms of potentials acting on particles or in terms of the interaction fields, e.g., the Maxwell form in terms of electric fields. In each case, the problem reduces to a mean field part that is a function of the density and a part due to correlation that is uniquely defined; however, it is different for the two cases. (3) The final results follow from the nature of energy and stress. Because the energy determines the ground state itself through the variational principle, the energy density approach leads directly to kinetic energy in the form $\ensuremath{-}\frac{1}{2}s{\ensuremath{\nabla}}^{2}s$ and interactions in terms of potentials acting on the particles. This leads naturally to density functional theory and provides an interpretation in which the energy density e(r)e(\mathbf{r})e(r) is equilibrated to minimize fluctuations with the same chemical potential at all points r\mathbf{r}r. On the other hand, stress is related to forces, and the only physically acceptable expressions for the stress field involve the combination $\frac{1}{2}[s{\ensuremath{\nabla}}^{2}s\ensuremath{-}{|\mathbf{\ensuremath{\nabla}}s|}^{2}]$, as derived by Schr\"odinger, Pauli, and others, and Coulomb interactions in terms of electric fields, not potentials. Together these results lead to well-defined formulations of energy density and stress fields that are physically motivated and based on a clear set of arguments.
We consider for clarity the simple case of the one dimensional non-relativistic Schrödinger equation and regard it as an ensemble mean representation of the stochastic motion of a single particle in a vacuum, subject to an undefined stochastic quantum force. By analyzing the Bohm potential it is found that the imaginary part of the quantum momentum is the root mean square fluctuation of the particle around its mean velocity, where the latter is the real part of the quantum momentum. The local mean of the quantum force is found to be proportional to the third spatial derivative of the probability density function, and its associated pressure to the second spatial derivative. The latter is decomposed from the single particle diluted gas pressure, and this pressure partition allows the interpretation of the quantum Bohm potential as the energy required to put a particle in a bath of fluctuating vacuum at constant entropy and volume. The stochastic force expectation value is zero and is uncorrelated with the particle location, thus does not perform work on average. Nonetheless it is anti-correlated with volume and this anti-correlation leads to a new type of an Heisenberg like relation. We imply the dynamic Gaussian solution to the Schrödinger equation as a simple example for exploring the mean properties of this quantum force. Still an interesting remained open task is the identification of the stochastic law that leads to these obtained mean properties.
Abstract There are several definitions of energy density in quantum mechanics. These yield expressions that differ locally, but all satisfy a continuity equation and integrate to the value of the expected energy of the system under consideration. Thus, the question of whether there are physical grounds to choose one definition over another arises naturally. In this work, we propose a way to probe a system by varying the size of a well containing a quantum particle. We show that the mean work done by moving the wall is closely related to one of the definitions for energy density. Specifically, the appropriate energy density, evaluated at the wall corresponds to the force exerted by the particle locally, against which the work is done. We show that this identification extends to two and three dimensional systems.
In non-diffusive conduction regimes of strongly correlated quantum electron systems, electromagnetic perturbations simultaneously probe the electronic dynamics in time and space: the exchanged energy ℏω\hbar ωℏω excites retarded, i.e., frequency-dependent, many-body interactions, while the probing spatial modulation renders the response spatially nonlocal, i.e., dependent on the external wave vector q⃗\vec{q}q​. This work derives the nonlocal electrodynamic response of such dynamical quantum fluids assuming local but frequency-dependent self-energies and particle-hole irreducible two-particle vertex functions, and preserving charge/mass conservation. The latter is ensured by Bethe-Salpeter equations for renormalized interaction vertices, entering the Kubo formalism for two-particle correlation functions (e.g., for density, currents, momentum, stress). Within such a framework, exact symmetry criteria for the absence of vertex corrections are inferred. In particular, vertex corrections vanish at q=0q=0q=0 for single-particle dispersions that are even and bare interaction vertices that are odd with respect to specific momentum-space point group transformations, including inversion for vector vertices, and mirror reflections or two- or higher-fold rotations for tensor vertices. If the dispersion is isotropic, vertex corrections vanish from the transverse part (⊥q⃗\perp\vec{q}⊥q​) of vectorial vertices (such as for electric/particle current) at any finite ℏω\hbar ωℏω and q⃗\vec{q}q​. These cancellations extend to the full current-current correlation function for quadratic isotropic dispersion. Further symmetry breaking, multiband effects, and the additional imposition of momentum conservation, are discussed, with application to the Hall viscosity of Landau levels. Explicit expressions for generic nonlocal correlation functions are derived for Fermi liquids and non-Fermi liquids.
We derive a functional form for the energy of interacting many-particle systems from first principles. Our main contribution is that we define the effective zero-point energy of an interacting system in terms of fluctuations of momentum and the Coulomb electric field. An uncertainty equation can be derived, relating the interaction energy in terms of the kinetic energy and local charge density. The Lieb-Thirring bound is then applied to constrain the kinetic energy which takes particle (anti-)symmetry into account, and the resulting functional form applies to fermionic as well as bosonic systems; in the uniform density case, the functional form agrees with the entire range of available Quantum Monte Carlo (QMC) data of many-particle systems, to within chemical accuracy. Furthermore, the functional form shows promising agreement with QMC phase transition data found in the literature, and in the high density case, where QMC data is not as readily available for a BCC Wigner state, predicts the stability of a BCC Wigner crystal agreeing qualitatively with Unrestricted Hartree-Fock. Seen in this way, many-particle wavefunctions are minimum uncertainty states in coherence with the electromagnetic bath, where the coupling is a self-generated scalar potential.