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A comparison of singly excited and pair-excited multiconfiguration wavefunctions for the ground states of the atoms He to F

✍ Scribed by F. Grein; A. Banerjee

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
321 KB
Volume
25
Category
Article
ISSN
0009-2614

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✦ Synopsis

ASE wavefunctions containing singIy excited (SE) configurations for each space orbital of the principal configuration are compared with similarly constructed pair-excitation (PE) xvavefunctions. The energies ale exactly or almost the same. Near-redundant configurations are removed. and the equivaience of SE with PE wavefunctions is investigated for special cases.

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