Roothaan-Hartree-Fock wave functions for atoms from Cs through U
Journal Article
·
· Physical Review A; (United States)
- Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050 (Japan)
- Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick, E3B6E2 (Canada)
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.
- OSTI ID:
- 5681688
- Journal Information:
- Physical Review A; (United States), Journal Name: Physical Review A; (United States) Vol. 48:6; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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