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Phys. Rev. A 48, 4775–4777 (1993)

Roothaan-Hartree-Fock wave functions for atoms from Cs through U

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Toshikatsu Koga
Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050, Japan

Ajit J. Thakkar
Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick, Canada E3B 6E2

See Also: Erratum

Received 19 July 1993; published in the issue dated December 1993

Improved Roothaan-Hartree-Fock wave functions are reported for the atoms from Cs through U. The largest improvement in the energy, relative to the wave functions of McLean and McLean [At. Data Nucl. Data Tables 26, 197 (1981)], is 0.065 hartree for Yb. The improved energies lie no more than 0.005 hartree above numerical Hartree-Fock limits.

© 1993 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.48.4775
DOI:
10.1103/PhysRevA.48.4775
PACS:
31.20.Ej

See Also

Erratum: Toshikatsu Koga and Ajit J. Thakkar, Erratum: Roothaan-Hartree-Fock wave functions for atoms from Cs through U [Phys. Rev. A 48, 4775 (1993)], Phys. Rev. A 50, 891 (1994).