Electric field effects on the ionic-neutral curve crossing of alkali halide molecules

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Abstract

The electronic states of alkali halide molecules are studied using the perturbation theory. Relevant crossing region parameters are investigated in the presence of a uniform electric field effects. The results obtained were in agreement with those obtained from the Rittner potential. The electron transfer processes at metal electrodes were discussed.

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Sousa, C., Domínguez-Ariza, D., De Graaf, C., & Illas, F. (2000). Electric field effects on the ionic-neutral curve crossing of alkali halide molecules. Journal of Chemical Physics, 113(22), 9940–9947. https://doi.org/10.1063/1.1323264

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