language: en

Improved Construction of Coupling Operator

Yasuyuki Ishikawa
Department of Chemistry , Simon Fräser University,
Burnaby» British Columbia , Canada
Z. Naturforsch. 86a, 366—368 (1981);

[received November 26 1980]

The construction of the coupling operator given by Adams is examined from the standpoint of SCF convergency. A unified, hermitian coupling operator is derived by taking into account optimum mixing for the pairs of occupied orbitals as well as the correct variational conditions.

1. Introduction