Excess Electron In Fluids Research Articles

A path integral influence functional for excess electron in fluids: Density-functional formulation.

In this paper, we propose a path integral influence functional from a solvent to determine a self-correlation function of a quantum particle in classical simple fluid. It is shown that the influence functional is related to a grand potential functional of the pure solvent under a three-dimensional external field arising from a classical isomorphic polymer, on which the quantum particle is mapped. The influence functional can be calculated from the self-correlation function, the solute-solvent and the solvent-solvent pair correlation function. The obtained equation of the self-correlation function is applied to an excess electron problem in fluid helium. The Fourier path-integral Monte Carlo method is employed to perform the path integral of the electron. The solute-solvent pair correlation function is estimated from a reference interaction site model integral equation. These results obtained form our proposed influence functional and from that proposed by Chandler, Singh, and Richardson are compared with those provided by a path integral Monte Carlo simulation with the explicit helium solvent.

Reply to comment on “effective mass of an excess electron in fluids with high polarizability”

Reply to comment on “effective mass of an excess electron in fluids with high polarizability”

Comment on “effective mass of an excess electron in fluids with high polarizability”

It is pointed out that the combination of experimental data on Mott-Wannier excitons and on impurity photoconductivity is inappropriate for obtaining effective masses in fluid xenon and therefore leads to incorrect ‘experimental’ values.

Effective mass of an excess electron in fluids with high polarizability

The effective mass of an excess electron injected into a dense non-polar fluid with high polarizability is considered. The pseudopotential theory of electron interaction with a cellular fluid is used. Phase shifts of the p-scattering of an electron in a fluid are calculated. The Bardeen formula is used for the effective mass calculation. The density dependence of the effective mass in fluid xenon is compared with experimental data.

Variational theories for localized states of an excess electron in fluids

Variational theories for the behavior of an excess electron in fluids are presented. It is shown that one can develop a class of variational theories starting from the exact partition function using different levels of approximations. In particular the density functional theory, the RISM (reference interaction site model)–polaron theory, and a new variational theory are shown to arise from an identical starting point. The discussion of the general variational theories are given for the optimal localized state of an excess electron in fluids. The usefulness of the new approximate theory developed here is established by applying it to the study of the localized state of an electron in supercritical helium. The results obtained are in very good agreement with the recent path integral Monte Carlo simulations. Finally the limitation of the variational theories are pointed out.