P-odd interaction constant WA from relativistic ab initio calculations of diatomic molecules

被引:16
作者
Borschevsky, A. [1 ]
Ilias, M. [2 ]
Dzuba, V. A. [3 ]
Beloy, K. [1 ]
Flambaum, V. V. [3 ]
Schwerdtfeger, P. [1 ,4 ]
机构
[1] Massey Univ, New Zealand Inst Adv Study, Ctr Theoret Chem & Phys, Auckland 0745, New Zealand
[2] Matej Bel Univ, Fac Nat Sci, Dept Chem, SK-97400 Banska Bystrica, Slovakia
[3] Univ New S Wales, Sch Phys, Sydney, NSW 2052, Australia
[4] Univ Marburg, Fachbereich Chem, D-35032 Marburg, Germany
来源
PHYSICAL REVIEW A | 2012年 / 85卷 / 05期
基金
澳大利亚研究理事会;
关键词
GAUSSIAN-BASIS SETS; PARITY NONCONSERVATION; WEAK-INTERACTIONS; ANAPOLE MOMENT; ATOMS; ELECTRON; CESIUM; ENHANCEMENT; TRANSITION; THALLIUM;
D O I
10.1103/PhysRevA.85.052509
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We present ab initio calculations of the W-A parameter of the P-odd spin-rotational Hamiltonian for a variety of diatomic molecules, including the group 2 and group 12 halides. The results were obtained by relativistic Dirac-Hartree-Fock and density functional theory approaches and corrected for core polarization effects. Strong enhancement of W-A is found for the group 12 diatomic halides, which should be helpful in future determination of the nuclear anapole moment.
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页数:7
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