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Calculations of ##IMG## [http://ej.iop.org/images/0953-4075/53/13/135101/toc_bab87e8ieqn1.gif] {$\mathcal{P}$} and ##IMG## [http://ej.iop.org/images/0953-4075/53/13/135101/toc_bab87e8ieqn2.gif] {$\mathcal{T}$} -odd interaction constants of alkaline-earth...
Journal of Physics B: Atomic, Molecular and Optical Physics ( IF 1.5 ) Pub Date : 2020-06-02 , DOI: 10.1088/1361-6455/ab87e8
Renu Bala 1 , H S Nataraj 1 , Malaya K Nayak 2
Affiliation  

We have reported the results of ab initio calculations of parity- and time-reversal-odd interaction constants for the ground state of alkaline-earth monofluorides. The Kramers-restricted configuration interaction method limited to single and double excitations in conjunction with the quadruple zeta quality basis sets have been employed to perform these four-component relativistic calculations. The results are compared with the existing semi-empirical and other theoretical results, wherever available.

中文翻译:

## IMG ##的计算[http://ej.iop.org/images/0953-4075/53/13/135101/toc_bab87e8ieqn1.gif] {$ \ mathcal {P} $}和## IMG ## [ http://ej.iop.org/images/0953-4075/53/13/135101/toc_bab87e8ieqn2.gif] {$ \ mathcal {T} $}-碱土的奇数相互作用常数...

我们已经报道了碱土单氟化物基态从头计算奇偶校验和时间反转奇数相互作用常数的结果。仅限于单激发和双激发以及四重zeta质量基础集的Kramers限制配置相互作用方法已用于执行这些四分量相对论计算。将结果与现有的半经验和其他理论结果(如果有)进行比较。
更新日期:2020-06-02
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