Though density functional theory is already developed in useful practical numerical forms, no explicit simple ground-state energy density functional exists. Here, towards establishing such a theory, we present the ground-state energy of the Crandall et al.'s two-electron spin-compensated model atom in terms of del(2)rho(r)/rho(r) evaluated at r = 0, where rho(r) is the electron density.
Explicit energy density functional for the Crandall two-electron model atom with harmonic confinement and inverse square law inter-particle repulsion
AMOVILLI, CLAUDIO;
2014-01-01
Abstract
Though density functional theory is already developed in useful practical numerical forms, no explicit simple ground-state energy density functional exists. Here, towards establishing such a theory, we present the ground-state energy of the Crandall et al.'s two-electron spin-compensated model atom in terms of del(2)rho(r)/rho(r) evaluated at r = 0, where rho(r) is the electron density.File in questo prodotto:
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