Jj. Zhu et Ri. Cukier, A MEAN-FIELD THEORY OF A LOCALIZED EXCESS ELECTRON IN A CLASSICAL FLUID, The Journal of chemical physics, 99(2), 1993, pp. 1288-1299
A mean-field, density-functional theory for a ground-state, localized
excess electron in a classical solvent is presented. We obtain a Schro
dinger equation for the electron's wave function, with a mean-field po
tential dependent on the local density of the solvent, and an integral
equation for the electron-solvent correlation function, with an effec
tive (averaged over the electron density) electron-solvent interaction
potential. We show that this effective interaction is weak and use th
is feature to suggest closures of the integral equation characterizing
the electron-solvent correlations. The coupled system of the Schrodin
ger and integral equations are solved self-consistently, using an iter
ative method. The results are in good agreement with path-integral and
time-dependent self-consistent-field simulations of an excess electro
n in supercritical helium. We show that these two simulation methods s
hould agree when the electron is essentially always in its ground elec
tronic state, as is the case for an electron in sufficiently dense hel
ium.