Applicability of the WKB method in asymmetric double wells with degenerate and nondegenerate minima

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Abstract

To test the applicability of the WKB semiclassical approximation to correctly describe the tunneling frequencies and energy levels in asymmetric double wells, we have considered the cases where the asymmetry comes from the nondegeneracy of the two minima and when it comes from the asymmetry in the shape of the barrier between both minima. To do this, we compare the tunneling frequencies and energy levels obtained through the WKB method for symmetric and asymmetric cases with exact results obtained by a basis set procedure. Our results show that the semiclassical WKB approximation has to be used with caution for asymmetric double wells. © 1994 by John Wiley & Sons, Inc. Copyright © 1994 John Wiley & Sons, Inc.
Original languageEnglish
Pages (from-to)125-131
JournalJournal of Computational Chemistry
Volume15
Issue number2
DOIs
Publication statusPublished - 1 Jan 1994

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