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Title: Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant W{sub s} in heavy polar molecules

Abstract

A fully relativistic restricted active space configuration interaction method is employed to compute the P,T-odd interaction constant W{sub s} for the ground ({sup 2}{sigma}{sub 1} at {sub {approx}}{sub sol{approx}} at {sub 2}) state of YbF and BaF molecules, which yield the results W{sub s}=-41.2 kHz and -9.7 kHz for YbF and BaF, respectively. Our present estimated results of the P,T-odd interaction constant W{sub s} is in reasonable agreement with previous calculations.

Authors:
; ;  [1]
  1. Indian Institute of Astrophysics, Bangalore-560 034 (India)
Publication Date:
OSTI Identifier:
20982109
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. A; Journal Volume: 75; Journal Issue: 2; Other Information: DOI: 10.1103/PhysRevA.75.022510; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; BARIUM FLUORIDES; CONFIGURATION INTERACTION; CORRECTIONS; ELECTRONS; GROUND STATES; INTERACTIONS; KHZ RANGE; MOLECULES; NUCLEI; RELATIVISTIC RANGE; YTTERBIUM FLUORIDES

Citation Formats

Nayak, Malaya K., Chaudhuri, Rajat K., and Das, B. P. Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant W{sub s} in heavy polar molecules. United States: N. p., 2007. Web. doi:10.1103/PHYSREVA.75.022510.
Nayak, Malaya K., Chaudhuri, Rajat K., & Das, B. P. Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant W{sub s} in heavy polar molecules. United States. doi:10.1103/PHYSREVA.75.022510.
Nayak, Malaya K., Chaudhuri, Rajat K., and Das, B. P. Thu . "Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant W{sub s} in heavy polar molecules". United States. doi:10.1103/PHYSREVA.75.022510.
@article{osti_20982109,
title = {Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant W{sub s} in heavy polar molecules},
author = {Nayak, Malaya K. and Chaudhuri, Rajat K. and Das, B. P.},
abstractNote = {A fully relativistic restricted active space configuration interaction method is employed to compute the P,T-odd interaction constant W{sub s} for the ground ({sup 2}{sigma}{sub 1} at {sub {approx}}{sub sol{approx}} at {sub 2}) state of YbF and BaF molecules, which yield the results W{sub s}=-41.2 kHz and -9.7 kHz for YbF and BaF, respectively. Our present estimated results of the P,T-odd interaction constant W{sub s} is in reasonable agreement with previous calculations.},
doi = {10.1103/PHYSREVA.75.022510},
journal = {Physical Review. A},
number = 2,
volume = 75,
place = {United States},
year = {Thu Feb 15 00:00:00 EST 2007},
month = {Thu Feb 15 00:00:00 EST 2007}
}
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