Values for the α parameter in Xα theory

Gopinathan, M. S. ; Rao, Goruganthu R. (1980) Values for the α parameter in Xα theory Physical Review A, 22 (4). pp. 1764-1768. ISSN 1050-2947

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Official URL: http://pra.aps.org/abstract/PRA/v22/i4/p1764_1

Related URL: http://dx.doi.org/10.1103/PhysRevA.22.1764

Abstract

The theoretically derived α values in the Xα method due to Gopinathan, Whitehead, and Bogdanovic are shown to give wave functions of Hartree-Fock accuracy. The orbitals obtained with the modified a values reported by Gazquez and Keller give slightly higher energies.

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