Quantum molecular dynamic simulation of an excess electron in dense helium.

Autor: Boltjes, B., de Graaf, C., Rettschnick, R. P. H., de Leeuw, S. W.
Předmět:
Zdroj: Journal of Chemical Physics; 7/1/1992, Vol. 97 Issue 1, p408, 9p
Abstrakt: In this paper we present results of simulations of an electron in dense helium with ground state dominance, at 309 K and reduced densities ρ*=0.25, 0.50, and 0.90. Some results at ρ*=1.10 and T=309 K and at ρ*=0.25, T=77 K are also presented and discussed. From the mean square displacement of the electron, the diffusion coefficient and mobility was computed. Properties of six eigenstates with the lowest energy eigenvalues of instantaneous configurations are presented and discussed. The energy eigenvalues of the instantaneous potentials are compared with an eigenvalue spectrum computed with a spectral method. They are also compared with the energy eigenvalues obtained from the mean radial potential felt by the electron. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index