A comparison of singly excited and pair-
โ
F. Grein; A. Banerjee
๐
Article
๐
1974
๐
Elsevier Science
๐
English
โ 321 KB
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 equivaien