Analytic route to tunneling splittings using semiclassical perturbation theory

Analytic route to tunneling splittings using semiclassical perturbation theory

We present an efficient, analytical, and simple route to approximating tunneling splittings in multidimensional chemical systems, directly from ab initio computations. The method is based on the Wentzel–Kramers–Brillouin (WKB) approximation combined with the vibrational perturbation theory. Anharmon...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron:	Burd, TAH, Clary, DC
Fformat:	Journal article
Iaith:	English
Cyhoeddwyd:	American Chemical Society 2020

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