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Physical Review

Approximate Eigenfunctions of the Liouville Operator in Classical Many-Body Systems. II. Hydrodynamic Variables

Ralph Nossal, Robert W. Zwanzig

Published May 5, 1967• 35 citations
Publisher

Abstract

A variational solution of the Liouville equation is used to obtain collective coordinates for simple classical fluids. Comparison is made with macroscopic analogs determined from relevant hydrodynamic equations. Approximate eigenfunctions of the Liouville operator, when constructed from linear combinations of the spatial Fourier transforms (fluctuations) of the mass, momentum, and energy-density operators for the fluid, are found appropriate to low-frequency disturbances. When time derivatives of fluctuations are included among trial functions, the variational procedure provides fluid-state counterparts of usual solidstate phonons.

DOI
10.1103/physrev.157.120

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A variational solution of the Liouville equation is used to obtain collective coordinates for simple classical fluids. Comparison is made with macroscopic analogs determined from relevant hydrodynamic equations. Approximate eigenfunctions of the Liouville operator, when constructed from linear combinations of the spatial Fourier transforms (fluctuations) of the mass, momentum, and energy-density operators for the fluid, are found appropriate to low-frequency disturbances. When time derivatives of fluctuations are included among trial functions, the variational procedure provides fluid-state counterparts of usual solidstate phonons.
A variational criterion is used to find approximate eigenfunctions and eigenvalues of the Liouville operator in classical many-body systems. The trial functions are taken to be sums over molecules of functions depending on the position and momentum of a single molecule. In a harmonic lattice, this approach leads to exact eigenfunctions and eigenvalues. In a fluid, the eigenvalue spectrum is continuous, and the eigenfunctions are related to those found by Van Kampen in his study of the linearized Vlasov equation for a plasma. The time dependence of the fluid current density is found by means of these eigenfunctions and eigenvalues. The results show persistent free-particle propagation and damped sound-wave propagation, with relative importance depending on the magnitude of the sound velocity.
Starting from the microscopic description of a normal fluid in terms of any kind of local interacting many-particle theory we present a well defined step by step procedure to derive the hydrodynamic equations for the macroscopic phenomena. We specify the densities of the conserved quantities as the relevant hydrodynamic variables and apply the methods of non-equilibrium statistical mechanics with projection operator techniques. As a result we obtain time-evolution equations for the hydrodynamic variables with three kinds of terms on the right-hand sides: reversible, dissipative and fluctuating terms. In their original form these equations are completely exact and contain nonlocal terms in space and time which describe nonlocal memory effects. Applying a few approximations the nonlocal properties and the memory effects are removed. As a result we find the well known hydrodynamic equations of a normal fluid with Gaussian fluctuating forces. In the following we investigate if and how the time-inversion invariance is broken and how the second law of thermodynamics comes about. Furthermore, we show that the hydrodynamic equations with fluctuating forces are equivalent to stochastic Langevin equations and the related Fokker-Planck equation. Finally, we investigate the fluctuation theorem and find a modification by an additional term.
From the quantum kinetic equation of Bogoliubov, Gurov, Born, and Green, the equations of motion for macroscopic variables are examined in many different ways. First, in the configuration space a hierarchy of generalized fluid-dynamical equations can be obtained by taking the appropriate limits of the quantum kinetic equation. The resultant equations of continuity, of momentum, and of energy are similar in form to those one encounters in classical fluid dynamics with the exception of additional terms proportional to ${\ensuremath{\hbar}}^{2}$ Secondly, the quantum kinetic equation is examined in phase space. The same set of equations of continuity, of momentum, and of energy can be derived by taking the first three moments of the quantum kinetic equation. The exact results we obtained are utilized to form the starting point for many simplifying approximations for the investigation of the dynamics of quantum many-body systems such as the elastic response limit, the hydrodynamical limit, Landau's Fermi-liquid theory, and finally the time-dependent Hartree-Fock and the multideterminant time-dependent Hartree-Fock approximations. The fact that all these different dynamical descriptions can be traced to a common origin provides a unifying viewpoint to the present approach with the quantum kinetic equation.NUCLEAR STRUCTURE Dynamics of nuclear fluid, quantum kinetic equation, and generalized fluid-dynamical equation. Elastic response, hydrodynamical limit, Landau's Fermi-liquid theory, time-dependent Hartree-Fock approximation, and multideterminant time-dependent Hartree-Fock approximation.
"A theory is developed to allow the systematic calculation of the properties of quantum fluids given the microscopic two-body potential. Physical arguments are used to construct a correlation operator that approximately transforms the states of a non-interacting system into the corresponding states of the interacting-system. The theory can be regarded as a microscopic realization of Landau's assumption of a one-to-one correspondence between the non-interacting and interacting states. It is variational since the correlation operator is determined by minimizing E(p) the expectation value of the ground-state energy. We first give a survey of various other many-body theories including the simpler Jastrow variational method. Differential equations are derived to calculate the correlation operator and the related Jastrow correlation"" function. A comparison of results in several Bose systems with various methods is given. The Fermi hypernetted chain integral equations are generalized to allow the calculation of E(p) in Fermi systems, using the correlation operator wave function. The method is applied to liquid 3He and the v2-model of nuclear matter. In 3He the correlation operator gives results in much closer agreement with experiment than that with the Jastrow wave function. A new set of hypernetted chain equations are then derived to allow the calculation of the excited st;ate energies in Bose systems. The theory is then applied to the calculation of the single quasi-particle excitation spectrum of liquid 4He. The spectrum is found to be a stringent test on the form of the correlation operator, deficiencies in the correlation operator giving corresponding errors in the spectrum. Good results are obtained for the density dependence of the roton energy. A variational principle for the free energy is used to generalize the correlation operator technique to finite temperatures. Results are given for the finite temperature properties of the v8-model of nuclear matter."
The theoretical framework of the mixed quantum-classical description given by Burghardt and Parlant [J. Chem. Phys. 120, 3055 (2004)] is detailed. A representation in terms of partial hydrodynamic moments is developed, the dynamics of which is determined by a hierarchy of equations derived from the quantum Liouville equation. Exact equations of motion are obtained, whose quantum-classical approximants are associated with a fluid-dynamical trajectory representation which couples classical variables to quantum hydrodynamic variables. The latter evolve under a generalized hydrodynamic force which also depends upon the classical phase-space variables. The hydrodynamic moment description is shown to be closely connected to mixed quantum-classical phase-space methods.
In the collisional region at finite temperatures, the collective modes of superfluids are described by the Landau two-fluid hydrodynamic equations reviewed in Chapter 14. In the case of trapped Bose gases, these are coupled differential equations with position-dependent coefficients associated with the local thermodynamic functions. Building on the approach initiated by Zaremba et al. (1999) for trapped atomic Bose gases, in this chapter we develop an alternative variational formulation of two-fluid hydrodynamics. This is based on the work of Zilsel (1950), originally developed to deal with superfluid He. Assuming a simple variational ansatz for the superfluid and normal fluid velocity fields, this approach reduces the problem of finding the hydrodynamic collective mode frequencies to solving coupled algebraic equations for a few variational parameters. These equations contain constants that involve spatial integrals over various equilibrium thermodynamic derivatives. Such a variational approach is both simpler and more physical than a direct attempt to solve the Landau two-fluid equations numerically. This chapter is mainly based on Taylor and Griffin (2005), Taylor (2008) and Zilsel (1950). In it, we discuss the normal modes of the non-dissipative Landau two-fluid equations for a trapped superfluid. In Section 16.3, we illustrate this formalism by deriving expressions for the frequencies of the dipole and breathing modes of a trapped Bose superfluid. In Chapters 17 and 18, we discuss an extended version of the two-fluid equations that includes hydrodynamic damping. The hydrodynamic damping of the collective modes is calculated in Chapter 19 using a generalized version of the variational approach developed in this chapter. Zilsel's variational formulation Since two-fluid hydrodynamics only describes a system in local equilibrium, all thermodynamic quantities are functions of position and time. Even in static equilibrium, in the presence of a trapping potential, most thermodynamic quantities will be position dependent.