English

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 e(nE)e\otimes (n E) and t(nH)t\otimes (n H) dynamic Jahn-Teller problems, for an arbitrary number nn 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 t(nH)t\otimes (n H) with n=8n =8 and coupling constants appropriate to C60_{60}^- are used for this purpose, and are discussed in the context of fullerene.

Keywords

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