Molecular electric properties and nuclear and vibrational relaxation an ab initio study of HF, CH<inf>4</inf> and C<inf>2</inf>H<inf>4</inf>

Josep Martí, José Luis Andrés, Juan Bertrán, Miquel Duranj

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62 Citations (Scopus)

Abstract

The effects of nuclear relaxation and change in vibrational molecular energy are accounted for in the theoretical determination of the molecular properties of HF, CH4, and C2H4. A method based on a finite-difference technique is employed. An analysis of the influence of these contributions versus the purely electronic contribution is made, together with an appraisal of the effect of vibrational excitation. © 1993 Taylor & Francis Group, LLC.
Original languageEnglish
Pages (from-to)625-633
JournalMolecular Physics
Volume80
Issue number3
DOIs
Publication statusPublished - 20 Oct 1993

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