On the calculation of vibronic coupling matrix elements |
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Authors: | Onno L.J. Gijzeman |
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Affiliation: | Davy Faraday Research Laboratory of the Royal Institution, London W1X 4BS, UK |
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Abstract: | 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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