Model calculation of electron-phonon couplings in a dimer with a non-degenerate orbital

Citation
M. Acquarone et C. Noce, Model calculation of electron-phonon couplings in a dimer with a non-degenerate orbital, INT J MOD B, 13(28), 1999, pp. 3331-3355
Citations number
20
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
INTERNATIONAL JOURNAL OF MODERN PHYSICS B
ISSN journal
02179792 → ACNP
Volume
13
Issue
28
Year of publication
1999
Pages
3331 - 3355
Database
ISI
SICI code
0217-9792(19991110)13:28<3331:MCOECI>2.0.ZU;2-T
Abstract
We evaluate all the electron-phonon couplings derived from the one-body and two-body electronic interactions, in both the adiabatic and extreme non-ad iabatic limit, for a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian shape. We find largely different values of the c oupling parameters in the two limits, as well as different expressions of t he corresponding terms in the Hamiltonian. Depending on the distance betwee n the dimer ions, some of the two-body couplings are comparable, or even la rger than the one-body ones.