✦ LIBER ✦

An efficient basis selection procedure for the reduction of the dimension in large Hylleraas-CI calculations

✍ Scribed by Arne Lüchow; Heinz Kleindienst

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 250 KB
Volume: 197
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)86030-l

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✦ Synopsis

An efficient procedure is given to reduce the dimension of large basis sets required in high-precision

Hylleraas-CI calculations. With this method the non-relativistic energies of the low-lying S states of the Li atom are recalculated. The results for the excited states are the best values to date.