Test of density-functional approximations in an exactly soluble model
- 1 March 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 33 (3) , 1480-1491
- https://doi.org/10.1103/physreva.33.1480
Abstract
We consider an exactly soluble model consisting of two electrons attracted to a common center by harmonic-oscillator forces with mutual Coulomb repulsion between the electrons. The exact wave function and energy for the singlet ground state is obtained by separating the Schrödinger equation in center-of-mass and relative coordinates and numerically integrating the relative-coordinate eigenvalue equation. The exact Kohn-Sham (KS) orbital for the two equivalent electrons with opposite spins is constructed from the exact density, and the Kohn-Sham equation is inverted, yielding the exact exchange-correlation potential as a function of position.Keywords
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