Exact zero-point energy shift in the $e\otimes (n~E)$, $t\otimes (n~H)$ many modes dynamic Jahn-Teller systems at strong coupling
Condensed Matter
2009-10-30 v2 Chemical Physics
Abstract
We find the exact semiclassical (strong coupling) zero-point energy shifts applicable to the and dynamic Jahn-Teller problems, for an arbitrary number of discrete vibrational modes simultaneously coupled to one single electronic level. We also obtain an analytical formula for the frequency of the resulting normal modes, which has an attractive and apparently general Slater-Koster form. The limits of validity of this approach are assessed by comparison with O'Brien's previous effective-mode approach, and with accurate numerical diagonalizations. Numerical values obtained for with and coupling constants appropriate to C are used for this purpose, and are discussed in the context of fullerene.
Cite
@article{arxiv.cond-mat/9709095,
title = {Exact zero-point energy shift in the $e\otimes (n~E)$, $t\otimes (n~H)$ many modes dynamic Jahn-Teller systems at strong coupling},
author = {Nicola Manini and Erio Tosatti},
journal= {arXiv preprint arXiv:cond-mat/9709095},
year = {2009}
}
Comments
20 pages, 4 ps figures