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Resolutions of the Coulomb operator Part III.† Reduced-rank Schrödinger equations‡
Taweetham Limpanuparb,Peter M. W. Gill
Physical Chemistry Chemical Physics Pub Date : 08/14/2009 00:00:00 , DOI:10.1039/B910613H
Abstract

We consider a modified Schrödinger equation wherein the electron-electron repulsion terms rij−1 are approximated by truncated one-particle resolutions. Numerical results for the He atom and H2 molecule at the Hartree–Fock, second-order Møller–Plesset, and configuration interaction levels show that the solutions of the resulting reduced-rank Schrödinger equations converge rapidly, and that even low-rank approximations can yield energies with chemical accuracy.

Graphical abstract: Resolutions of the Coulomb operator Part III. Reduced-rank Schrödinger equations
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