Please use this identifier to cite or link to this item:
Title: Ab initio calculation of P,T-odd effects in YbF molecule
Authors: Nayak, M
Chaudhuri, R. K
Keywords: Ab initio;YbF molecule
Issue Date: Feb-2006
Publisher: Elsevier
Citation: Chemical Physics Letters, Vol. 419, No. 1 - 3, pp. 191 - 194
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.
Description: Restricted Access
ISSN: 0009-2614
Appears in Collections:IIAP Publications

Files in This Item:
File Description SizeFormat 
Ab initio calculation Restricted Access148.33 kBAdobe PDFView/Open    Request a copy

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.