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

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
197
Identifiers
DOI: 10.1016/0009-2614(92)86030-l

Abstract

Abstract 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.

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