Published April 5, 2013
| Version v1
Journal article
Symmetry and degeneracy manifolds in Jahn-Teller molecules
Description
We consider problems in dealing with molecular systems of n identical nuclei. One problem is that of finding suitable internal coordinates. For n ≤ 4, these can be simply the internuclear distances. For n > 4, it is shown that, with perhaps one exception, there is no internal coordinate system that treats all nuclei equivalently. We also consder the properties of conical intersections between two Born-Oppenheimer electronic energy surfaces, in particular the problem of identifying the two coordinates that remove the degeneracy to first order in the near neighborhoods of symmetry manifolds.
Availability note (English)
Available from http://dx.doi.org/10.1088/1742-6596/428/1/012007Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. Conference Series (Online)
- Journal Volume
- 428
- Journal Issue
- 1
- Journal Page Range
- [11 p.]
- ISSN
- 1742-6596
Conference
- Title
- 21. international symposium on the Jahn-Teller effect
- Dates
- 26-31 Aug 2012
- Place
- Tsukuba (Japan)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 44119240
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- BORN-OPPENHEIMER APPROXIMATION; EXCEPTIONS; JAHN-TELLER EFFECT; MOLECULES; NUCLEI; SURFACES; SYMMETRY
- Descriptors DEC
- ADMINISTRATIVE PROCEDURES; APPROXIMATIONS; CALCULATION METHODS