Potential energy surfaces for a mixed-valence dimer in an applied electric field
作者： Leonel F. Murga , Mary Jo Ondrechen
DOI: 10.1007/BF01113540
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摘要: A mixed-valence dimer with an applied external field aligned along the internuclear axis is studied using a two-site small-polaron model. Potential energy surfaces are calculated in adiabatic (Born-Oppenheimer) approximation. It shown that two nuclear coordinates (one totally symmetric and other antisymmetric) coupled to electronic motion, whereas only antisymmetric coordinate absence of electric field. For strongly localized (valence trapped) system, displacement directly proportional strength. delocalized (valence-averaged) systems, there significant coordinate, effect which also vanishes Contributions linewidth estimated.
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