ROOTHAAN-HARTREE-FOCK WAVE-FUNCTIONS FOR ATOMS WITH Z-LESS-THAN-OR-EQUAL-TO-54

Authors
KOGA T TATEWAKI H THAKKAR AJ
Citation
T. Koga et al., ROOTHAAN-HARTREE-FOCK WAVE-FUNCTIONS FOR ATOMS WITH Z-LESS-THAN-OR-EQUAL-TO-54, Physical review. A, 47(5), 1993, pp. 4510-4512
Citations number
11
Categorie Soggetti
Physics
Journal title
Physical review. A → ACNP
ISSN journal
10502947
Volume
47
Issue
5
Year of publication
1993
Part
B
Pages
4510 - 4512
Database
ISI
SICI code
1050-2947(1993)47:5<4510:RWFAWZ>2.0.ZU;2-S
Abstract
The widely used Roothaan-Hartree-Fock wave functions of Clementi and R oetti [At. Data Nucl. Data Tables 14, 177 (1974)] for the atoms from H e through Xe are improved by reoptimization of the exponents of the Sl ater-type basis functions. The largest improvement in the energy is 0. 053 hartree for Cd.