An effective Schrödinger equation for the rovibronic energies of H2 and D2
- 1 January 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (1) , 162-169
- https://doi.org/10.1063/1.431967
Abstract
A new effective Schrödinger equation for the calculation of the rovibronic energies of H2 and D2 is proposed. The equation takes into account nonadiabatic effects and it is used to calculate the nonadiabatic corrections to the adiabatic vibronic energies. The root‐mean‐square deviation of the corrections from the experimentally derived ones is less than the accuracy of the experimental vibronic energies and smaller than the deviation of the corrections calculated by alternative methods.Keywords
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