QUASI-JAHN-TELLER EFFECT IN CHEMICAL REACTIONS
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Date
2000
Authors
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Journal ISSN
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Publisher
Ohio State University
Abstract
It will be demonstrated that the quasi-Jahn-Teller effect in chemical reactions is a nuclear quantum effect, $T^{q}$, induced by electronic $nonadiabaticity^{a}$. Further, $T^{q}$ is equivalent to the Diagonal Born-Oppenheimer Correction. Results including and without $T^{q}$ for a model system will be $presented^{b}$. The research shows clearly that one has to consider this effect in order to obtain various quantities within a spectroscopic accuracy for systems where this effect is no longer negeligible.
Description
$^{a}$L. Wang, Chem, Phys. Lett. (a) 285 (1998) 359; (b) submitted. $^{b}$L. Wang, Chem, Phys. 237 (1998) 305.
Author Institution: Department of Chemistry, The Ohio State University
Author Institution: Department of Chemistry, The Ohio State University