dc.creator Hougen, Jon T. en_US dc.date.accessioned 2012-07-09T19:44:55Z dc.date.available 2012-07-09T19:44:55Z dc.date.issued 2012 en_US dc.identifier 2012-FE-02 en_US dc.identifier.uri http://hdl.handle.net/1811/52558 dc.description Author Institution: Sensor Sciences Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8441, USA en_US dc.description.abstract In this talk we revisit, with pedagogical emphasis for high-resolution spectroscopists, some presently existing discussions of phase factors for fixed-nuclei electronic wavefunctions in the Jahn-Teller problem. We give explicit examples, for a symmetric pyramidal NH$_3$-like molecular shape, of perfectly reasonable variants of such electronic wavefunctions that do not transform into their negatives upon going once around the conical intersection (i.e., that do not exhibit a Berry phase change of -1), as well as an example calculation for the pseudo-rotational energy levels and wavefunctions near the bottom of a deep Jahn-Teller moat that does not make use of half-integral quantum numbers and that does not require abandoning ordinary C$_{3v}$ point group theory. Some cautionary remarks on drawing inappropriate conclusions from overly hasty Berry phase arguments will also be presented. en_US dc.language.iso en en_US dc.publisher Ohio State University en_US dc.title REMARKS ON THE PHASE CHANGE OF THE ELECTRONIC WAVE FUNCTION UPON GOING ONCE AROUND A JAHN-TELLER CONICAL INTERSECTION IN VIBRATIONAL COORDINATE SPACE en_US dc.type Article en_US dc.type Image en_US dc.type Presentation en_US
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