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Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework

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Title Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework
 
Creator SASMAL, S
PATHAK, H
NAYAK, MK
VAVAL, N
PAL, S
 
Subject ELECTRIC-DIPOLE MOMENT
YBF MOLECULE
BASIS-SETS
ENHANCEMENT
ASYMMETRY
HYPERFINE
SEARCH
ODD
 
Description The effective electric field experienced by the unpaired electron in the ground state of PbF, which is a potential candidate in the search of electron electric dipole moment due to some special characteristics, is calculated using Z-vector method in the coupled cluster single-and double-excitation approximation with four component Dirac spinor. This is an important quantity to set the upper bound limit of the electron electric dipole moment. Further, we have calculated molecular dipole moment and parallel magnetic hyperfine structure constant (A(parallel to)) of Pb-207 in PbF to test the accuracy of the wavefunction obtained in the Z-vector method. The outcome of our calculations clearly suggests that the core electrons have significant contribution to the "atom in compound" properties. (C) 2015 AIP Publishing LLC.
 
Publisher AMER INST PHYSICS
 
Date 2016-01-15T07:45:11Z
2016-01-15T07:45:11Z
2015
 
Type Article
 
Identifier JOURNAL OF CHEMICAL PHYSICS, 143(8)
0021-9606
1089-7690
http://dx.doi.org/10.1063/1.4929591
http://dspace.library.iitb.ac.in/jspui/handle/100/18083
 
Language en