Analysis of parity violation in chiral molecules

R. Bast, A. Koers, A.S.P. Gomes, M. Illias, L. Visscher, P. Schwerdtfeger, T. Saue

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

In order to guide the experimental search for parity violation in molecular systems, in part motivated by the possible link to biomolecular homochirality, we present a detailed analysis in a relativistic framework of the mechanism behind the tiny energy difference between enantiomers induced by the weak force. A decomposition of the molecular expectation value into atomic contributions reveals that the effect can be thought of as arising from a specific mixing of valence s
Original languageEnglish
Pages (from-to)864
JournalPhysical Chemistry Chemical Physics - PCCP
Volume13
DOIs
Publication statusPublished - 2011

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    Bast, R., Koers, A., Gomes, A. S. P., Illias, M., Visscher, L., Schwerdtfeger, P., & Saue, T. (2011). Analysis of parity violation in chiral molecules. Physical Chemistry Chemical Physics - PCCP, 13, 864. https://doi.org/10.1039/c0cp01483d