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

dc.contributor.author	Nayak, M
dc.contributor.author	Chaudhuri, R. K
dc.date.accessioned	2008-09-05T13:59:24Z
dc.date.available	2008-09-05T13:59:24Z
dc.date.issued	2006-02
dc.identifier.citation	Chemical Physics Letters, Vol. 419, No. 1 - 3, pp. 191 - 194	en
dc.identifier.issn	0009-2614
dc.identifier.uri	http://hdl.handle.net/2248/3394
dc.description	Restricted Access
dc.description.abstract	A fully-relativistic restricted active space (RAS) configuration interaction (CI) approach is employed to compute the P,T-odd interaction constant Wd of the ground (2Σ) state of YbF. A series of increasingly sophisticated CI space yields a best estimate of Wd = −1.088 × 1025 Hz/e-cm. The CI space that yields the best estimate of Wd is also used to compute other molecular properties, all of which are found to be in good agreement with experiment.	en
dc.language.iso	en	en
dc.publisher	Elsevier	en
dc.relation.uri	http://dx.doi.org/10.1016/j.cplett.2005.11.065	en
dc.subject	Ab initio	en
dc.subject	YbF molecule	en
dc.title	Ab initio calculation of P,T-odd effects in YbF molecule	en
dc.type	Article	en