Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant Ws in heavy polar molecules

Details Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant Ws in heavy polar molecules Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant Ws in heavy polar molecules

Feb 2007

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007phrva..75b2510n&link_type=abstract

Physical Review A, vol. 75, Issue 2, id. 022510

Physics

4

Hyperfine Interactions And Isotope Effects, Jahn-Teller Effect, Elementary Particle Processes, Atomic Processes And Interactions, Molecular And Chemical Processes And Interactions

Scientific paper

A fully relativistic restricted active space configuration interaction method is employed to compute the P,T -odd interaction constant Ws for the ground (Σ1/22) state of YbF and BaF molecules, which yield the results Ws=-41.2kHz and -9.7kHz for YbF and BaF , respectively. Our present estimated results of the P,T -odd interaction constant Ws is in reasonable agreement with previous calculations.

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