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Geometrical phase effect in Jahn–Teller systems: Twofold electronic degeneracies and beyond
- Source :
- Chemical Physics Letters. 487:139-146
- Publication Year :
- 2010
- Publisher :
- Elsevier BV, 2010.
-
Abstract
- The question of how many states are subject to geometrical phase in a N -fold electronic degeneracy is examined for Jahn–Teller systems. It is shown that it can be diagnosed from the sign change of the adiabatic electronic vector states when a rotation operator is applied to them in functional space defined in N -dimensional spherical polar coordinates, rather than by adiabatic transportation along a closed path in the higher-dimensional configuration space. It is also demonstrated that the Longuet-Higgins theorem for twofold conical intersections (namely that the electronic wave function changes sign on completing a closed path around a doubly-degenerate intersection) can be used to rationalize the results, irrespectively of N .
Details
- ISSN :
- 00092614
- Volume :
- 487
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........b57b48369ad7948b0fa5ca3bd7604507