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Resolutions of the Coulomb operator Part III.Reduced-rank Schroedinger equations

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Limpanuparb, Taweetham
Gill, Peter

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Royal Society of Chemistry

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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, a

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Physical Chemistry Chemical Physics

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2037-12-31