✦ LIBER ✦

Dirac-Fock Gaussian basis calculations: Inclusion of the Breit interaction in the self-consistent field procedure

✍ Scribed by Yasuyuki Ishikawa

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 374 KB
Volume: 166
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(90)80037-e

No coin nor oath required. For personal study only.

✦ Synopsis

The frequency-independent Breit interaction is treated self-consistently in Dirac-Fock Gaussian basis set calculations on the Be atom and Ne6+, Arr4+ and Sn46+ Ions. The results of the calculations on Be are in excellent agreement with both Desclaux's benchmark numerical pcrturbative calculations and the Slater basis set calculations of Quiney, Grant and Wilson. The Gaussian basis set calculations yield accurate results for the highly ionized systems, and show none of the signs of near-linear dependence difticulties reported with Slater basis sets.