The E⊗(ε+ε) Jahn-Teller effect

E. Haller, L. S. Cederbaum, W. Domcke

Publikation: Beitrag in FachzeitschriftArtikelBegutachtung

44 Zitate (Scopus)

Abstract

The interaction of an electronic E-term and two degenerate normal vibrations of the same symmetry, leading to the so-called two-mode E⊗(ε + ε) Jahn-Teller effect, is investigated. Absorption spectra are calculated numerically via the Lanczos algorithm and are shown to exhibit new interesting structures. These two-mode spectra are seen to differ markedly from the spectra obtained by simply convoluting the constituting one-mode E⊗ε Jahn-Teller spectra. To classify the spectra we introduce, in addition to the coupling strengths of the individual normal vibrations, a hopping parameter which serves as a measure for the interaction of the normal vibrations via the electronic state. An effective one-mode E⊗ε Jahn-Teller hamiltonian is introduced which reproduces the envelope of the two-mode Jahn-Teller spectrum to a high accuracy.

OriginalspracheEnglisch
Seiten (von - bis)1291-1315
Seitenumfang25
FachzeitschriftMolecular Physics
Jahrgang41
Ausgabenummer6
DOIs
PublikationsstatusVeröffentlicht - 20 Dez. 1980
Extern publiziertJa

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