The Group Relation Between the Mulliken and Slaterhyphen;Pauling Theories of Valence

摘要

By means of the group theory of characters, it is shown that there is an intimate relation between Mulliken's molecular orbitals and the Slaterhyphen;Pauling directed wave functions. One can pass from the former to the latter by making a simple transformation from an irreducible to a reducible representation. Consequently the same formal valence rules are usually given by either method, and one can understand generally why wave functions of the central atom which are nonbonding in Mulliken's procedure are likewise never employed in constructing Pauling's ``hybridized'' linear combinations.