Article ID Journal Published Year Pages File Type
5388185 Chemical Physics Letters 2008 7 Pages PDF
Abstract
Ab initio path integral ring polymer molecular dynamics method, which gives approximate quantum dynamics of molecular systems on the ab initio Born-Oppenheimer potential surface, is presented.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Ab initio path integral ring polymer molecular dynamics: Vibrational spectra of molecules
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