Abstract book - Prof. Per Jensen, Ph.D. - Bergische Universität ...

80 Poster session, D33Symmetric group and Point group Analysis of a coupled Rotor systemHorace Crogman 1 , Bumgyunmiga Choi 1 , Harison Chen 1 , and William Harter 2 ,La Sierra University Riverside CA 92515; 2 IUniversity of Arkansas, Fayetteville AR72701 USAThe theory of transformation relations between states of Born Oppenheimer and weakcoupling approximations is developed for polyatomic molecules. The symmetryrelations are a generalization of frame transformation relations derived Harter andCrogman for coupled rotor molecules. A key internal symmetry label (named "soul") isdefined so that it remains a constant label for frame transformation relations, and isconserved during vibronie transitions, ionization, and even dissociation provided thenuclear spin—rotation interaction is relatively small. Simplified procedures are givenfor obtaining selection rules, statistical weights, and matrix elements of multipoleoperators for common molecules having various point symmetries.Crogman H.Choi B.Chen H.Harter W.