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On the calculation of vibronic coupling matrix elements

โœ Scribed by Onno L.J. Gijzeman

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
350 KB
Volume
26
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The non-diagonal matrix elements in the adiabatic Born-Oppenheimer approximation are considered. The effect of the Q-dependence of the electronic energy denominator is calculated explicitly for an arbitrary initial and final state. It is shown that the inclusion of this effect does not change the relative values of the coupling matrix elements for different initial vibronic states.

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