Jahn-Teller theorem and noda points of wave functions

摘要

The split of electronic energy levels for a degenerate state near the symmetrical geometry configuration is considered. It is demonstrated that this effect is closely connected with the nodal properties of the symmetry-adapted orbitals. Simple proof of the Jahn-Teller theorem is proposed based on analysis of the "radial" vibrations (Zhilinskii-Stepanov theorem). Examples of "violations" of the Jahn-Teller theorem are considered. (c) 2005 Wiley Periodicals, Inc.