STUDY OF LOCALIZED MOLECULAR-ORBITALS USING GROUP-THEORY METHODS AND ITS APPROACH TO THE MANY-ELECTRON CORRELATION-PROBLEM .3. ORTHOGONAL BONDED FUNCTIONS

By using the group symmetrical localized molecular orbitals (SLMOs) as configuration-generating orbitals (CGOs) of many-electron wave functions, the symmetry adaptation of many-electron spaces is greatly simplified, and novel orthogonal bonded functions (OBFs), as complete space- and spin-adapted antisymmetrized products, are introduced. The corresponding programs for the solutions of OBFs are developed.