Ab initio calculation of P,T-odd effects in YbF molecule

被引：27

作者：

Nayak, MK ^{[1
]}

Chaudhuri, RK ^{[1
]}

机构：

[1] Indian Inst Astrophys, NAPP Grp, Bangalore 560034, Karnataka, India

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 419卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2005.11.065

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A fully-relativistic restricted active space (RAS) configuration interaction (0) approach is employed to compute the P,T-odd interaction constant W-d of the ground ((2)Sigma) state of YbF. A series of increasingly sophisticated Cl space yields a best estimate of W-d = -1.088 X 10(25) Hz/e-cm. The Cl space that yields the best estimate of W-d is also used to compute other molecular properties, all of which are found to be in good agreement with experiment. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：191 / 194

页数：4

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