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arXiv:1707.04474 · Progress of Theoretical and Experimental Physics

Many-particle quantum hydrodynamics: Exact equations and pressure tensors

Klaus Renziehausen, Ingo Barth

Published Nov 27, 2017• 12 citations
arXivHTMLPDF

Abstract

In the first part of this paper, the many-particle quantum hydrodynamics (MPQHD) equations for a system containing many particles of different sorts are derived exactly from the many-particle Schrödinger equation. It includes the derivation of the many-particle continuity equations (MPCE), many-particle Ehrenfest equations of motion (MPEEM), and many-particle quantum Cauchy equations (MPQCE) for any of the different particle sorts and for the total particle ensemble. The new point in our analysis is that we consider a set of arbitrary particles of different sorts in the system. In MPQCEs, there appears a quantity called pressure tensor. In the second part of this paper, we analyze two versions of this tensor in depth -- the Wyatt pressure tensor and the Kuzmenkov pressure tensor. There are different versions because there is a gauge freedom for the pressure tensor similar to that for potentials. We find that the interpretation of all quantities contributing to the Wyatt pressure tensor is understandable but for the Kuzmenkov tensor, it is difficult. Furthermore, the transformation from Cartesian coordinates to cylindrical coordinates for the Wyatt tensor can be done in a clear way, but for the Kuzmenkov tensor, it is rather cumbersome.

DOI
10.1093/ptep/ptx179

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In the first part of this paper, the many-particle quantum hydrodynamics (MPQHD) equations for a system containing many particles of different sorts are derived exactly from the many-particle Schrödinger equation. It includes the derivation of the many-particle continuity equations (MPCE), many-particle Ehrenfest equations of motion (MPEEM), and many-particle quantum Cauchy equations (MPQCE) for any of the different particle sorts and for the total particle ensemble. The new point in our analysis is that we consider a set of arbitrary particles of different sorts in the system. In MPQCEs, there appears a quantity called pressure tensor. In the second part of this paper, we analyze two versions of this tensor in depth -- the Wyatt pressure tensor and the Kuzmenkov pressure tensor. There are different versions because there is a gauge freedom for the pressure tensor similar to that for potentials. We find that the interpretation of all quantities contributing to the Wyatt pressure tensor is understandable but for the Kuzmenkov tensor, it is difficult. Furthermore, the transformation from Cartesian coordinates to cylindrical coordinates for the Wyatt tensor can be done in a clear way, but for the Kuzmenkov tensor, it is rather cumbersome.
Abstract Bohm developed the Bohmian mechanics (BM), in which the Schrödinger equation is transformed into two differential equations: a continuity equation and an equation of motion similar to the Newtonian equation of motion. This transformation can be executed both for single-particle systems and for many-particle systems. Later, Kuzmenkov and Maksimov used basic quantum mechanics for the derivation of many-particle quantum hydrodynamics (MPQHD) including one differential equation for the mass balance and two differential equations for the momentum balance, and we extended their analysis in a prework (K. Renziehausen, I. Barth in Prog. Theor. Exp. Phys. 2018:013A05, 2018) for the case that the particle ensemble consists of different particle sorts. The purpose of this paper is to show how the differential equations of MPQHD can be derived for such a particle ensemble with the differential equations of BM as a starting point. Moreover, our discussion clarifies that the differential equations of MPQHD are more suitable for an analysis of many-particle systems than the differential equations of BM because the differential equations of MPQHD depend on a single position vector only while the differential equations of BM depend on the complete set of all particle coordinates.
This preprint develops a quotient-space formulation of stress-gauge invariance in many-particle quantum hydrodynamics (MPQHD) within the Mori–Zwanzig projection formalism. For a fixed Hamiltonian, equilibrium inner product, slow-variable subspace, and Mori projector, the paper derives a necessary and sufficient condition under which two microscopic momentum-flux tensors generate the same orthogonal momentum force. This criterion is then used to define a projector-dependent equivalence relation among stress tensors and to construct the corresponding quotient space. By the first isomorphism theorem, this quotient space is naturally identified with the image of the projected divergence operator. The framework is applied to the Wyatt and Kuzmenkov stress representations in exact MPQHD. Since their difference is divergence-free, the two tensors belong to the same projected-stress equivalence class and therefore generate identical orthogonal forces and identical full Mori–Zwanzig memory kernels. The paper also clarifies the relation to the Bohm–Madelung formulation. The many-body Bohm quantum potential contributes to the quantum-force density and quantum stress, which in turn enter the total projected force and memory kernel. However, a separately defined “quantum viscosity” based only on a representation-dependent quantum-stress subkernel is not generally invariant. The resulting framework distinguishes microscopic stress representations from the projected transport dynamics retained by a chosen coarse-graining and provides a mathematical basis for analyzing generalized hydrodynamics, nonlocal transport, memory effects, and Bohmian many-body correlations. This manuscript is a preprint and has not yet undergone peer review.
We describe recent development of quantum hydrodynamics for ultracold Bose particle studying and consider different kinds of interactions. The method of derivation of equations describing the evolution of the neutral Bose particle system at low temperatures is described. Despite the fact that we consider the neutral particles we account the short-range interaction between particles. We consider the particles in the Bose-Einstein condensate (BEC) state. This method is called the method of quantum hydrodynamics, because natural for of the quantum mechanics rewritten in terms of material fields of observable quantities in three dimensional space is the set of equations, which look like the hydrodynamics equations. It can be shown that from the quantum hydrodynamics equations can be derived macroscopic non-linear Schrodinger equation. Most famous non-linear Schrodinger equation is the Gross-Pitaevskii (GP) equation, which contains nonlinearity of the third degree. There are generalizations of the GP equation. New term appears in the GP equation at account of the three-particle interaction. This term contains nonlinearity of the fifth degree. At more detailed account of the two particle interaction we come to the nonlocal non-linear Schrodinger equation. This equation contains spatial derivatives of the order parameter in the non-linear terms caused by the interaction. In this terminology the GP equation corresponds to the first order by the interaction radius. For the BEC of the neutral particles with anisotropic long-range dipole-dipole interaction the generalization of the GP equation was also suggested. Detailed analyses of the applicability conditions shows that this equation valid for the system of dipoles parallel to each other, which do not change their direction, and where the dipole-dipole interaction interferences translational motion of particles.
Abstract Several hydrodynamic models of the atomic Bose–Einstein condensate (BEC) obtained beyond the mean-field approximation are discussed together from a single point of view. All these models are derived from the microscopic quantum description. The derivation is made within the many-particle quantum hydrodynamics method suggested by L Kuz’menkov. The derivation is demonstrated and discussed for the mean-field regime revealing the Gross–Pitaevskii equation as the simplest illustration. It appears in the first order by the interaction radius. Generalization of the hydrodynamic Euler equation obtained in the third order by the interaction radius is discussed. It includes the contribution of the isotropic short-range interaction (SRI) presented by the third space derivative of the square of concentration. The Euler equation also includes the contribution of the anisotropic part of the SRI proportional to the second order spherical function. A systematic account of the quantum fluctuations in terms of the many-particle quantum hydrodynamics method requires the extension of the set of hydrodynamic equations from the couple continuity and Euler equations to the set of four equations which also includes the pressure evolution equation and the evolution equation for the third rank tensor of the pressure flux. The pressure evolution equation contains no interaction contribution in the first order by the interaction radius. The source of the quantum fluctuations is in the interaction caused term existing in the third rank tensor evolution equation which is obtained in the first order by the interaction radius. The presented models are considered for the single-component BECs.
Recently, in an effort to solve more realistic problems in quantum dynamics, much attention has been directed into numerically integrating the quantum hydrodynamic equations of motions (QHEM), as opposed to directly solving the time-dependent Schrödinger equation (TDSE). Such efforts have been provoked by the many numerical drawbacks encountered when solving the TDSE on a fixed-grid. In this dissertation, one trajectory method for integrating the QHEM is reviewed, and two novel trajectories methods are described. The first of these, the quantum trajectory method (QTM), was introduced in 1999 and has been used to solve many problems in quantum dynamics since then. However, severe numerical problems are encountered when this method is applied to problems that form wave function nodes. To get around this problem, new methods for numerically integrating the QHEM are needed. In the first novel method described, the arbitrary Lagrangian-Eulerian (ALE) method, particle trajectories are governed by a predetermined equation of motion that is user-supplied. The ALE method remedies inflation and compression problems encountered in the pure Lagrangian QTM. In the second new method discussed, the derivative propagating method (DPM), single quantum trajectories can be calculated one at a time, as opposed to the ensemble propagation of the QTM and ALE method. Using these two methods, new solutions to the QHEM are obtained where the QTM fails. In addition to solving the QHEM, the DPM is also used to solve the classical Klein-Kramers equation in this dissertation. This equation governs the Markovian phase space evolution of a system coupled to an environment such as a heat bath. This marks the first time single trajectories have been used to solve both the QHEM and the Klein-Kramers equations.
Transcending its origin in the debate on the interpretation of quantum theory, the continuous deterministic trajectory has proved a potent tool in computational quantum mechanics (an excellent introduction to numerical trajectory techniques is provided by Wyatt’s text [1]). It is straightforward to develop a method to derive the timedependent Schrödinger equation from a single-valued continuum of spacetime trajectories, and supply a corresponding exact formula for the wavefunction [2].Anatural language for this theory of evolution is offered by the hydrodynamic analogy, in which wave mechanics corresponds to the Eulerian picture (as shown by Madelung [3]) and the trajectory theory to the Lagrangian picture. The Lagrangian model for the quantum fluid may be developed from a variational principle involving a specific interaction potential (the quantum internal potential energy), and the Euler-Lagrange equations imply a nonlinear partial differential equation to calculate the trajectories of the fluid particles as functions of their initial coordinates and the initial wavefunction. The latter supplies two sets of data to the particle model: the initial density (via the amplitude) and the initial velocity (via the phase). The time-dependent wavefunction is then computed via the standard map between the Lagrangian coordinates and the Eulerian fields.