Abstract
Glauber states are suitable for describing oscillators displaced from the origin, therefore they are appropriate for dealing with the local vibrations of a multiatomic system after a Jahn-Teller distortion has taken place. The resulting wave functions based on displaced harmonic oscillators are not orthogonal. In the present paper we describe a way for using such functions in the numeric evaluation of properties related to the vibronic spectra of real systems. The presentation is divided into three parts: 1) Review of the main properties of Glauber states; 2) Analytic application of them to the ground states for some general couplings like ≥ ≥T1, ≥ ≥T2, and T2≥T1; 3) The central part of the work corresponds to the numerical application of Glauber states to excited states of the lower multiplet of Fe24 in II-VI zinc-blende compounds (CdTe,ZnS), explaining the corresponding infrared absorption spectra. The discussion will cover the following points : handling of the symmetry properties of the system; formation of algorithms for the computer calculations based on Glauber states; comparison with experimental spectra; comparison with other numerical methods. In the concluding remarks, the advantages and disadvantages of this method based on Glauber states will be outlined.
| Original language | English |
|---|---|
| Pages (from-to) | 227-244 |
| Number of pages | 18 |
| Journal | Zeitschrift fur Physikalische Chemie |
| Volume | 200 |
| Issue number | PART_1_2 |
| DOIs | |
| State | Published - Jan 1997 |
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