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Phys. Rev. A 30, 30–34 (1984)

Approximate solutions of the momentum-space integral Schrödinger equation for two-electron atoms

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Philip E. Regier and Ajit J. Thakkar
Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L3G1

Received 13 January 1984; published in the issue dated July 1984

It is demonstrated that correlated Gaussian geminals can be used with the same computational effort as products of Gaussian orbitals in the iterative solution of the two-electron integral Schrödinger equation in momentum space. The most accurate energies E1/2 and wave functions φ1 ever constructed directly in momentum space are reported for H-,He, and Li+.

© 1984 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.30.30
DOI:
10.1103/PhysRevA.30.30