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.
Original language | English |
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Pages (from-to) | 1291-1315 |
Number of pages | 25 |
Journal | Molecular Physics |
Volume | 41 |
Issue number | 6 |
DOIs | |
State | Published - 20 Dec 1980 |
Externally published | Yes |