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Paper
Phys. Chem. Chem. Phys., 2009, 11, 9176 - 9181, DOI: 10.1039/b910613h
Resolutions of the Coulomb operator
Part III. Reduced-rank Schrödinger equations
Taweetham Limpanuparb and Peter M. W. Gill
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.
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