Relativistic coupled-cluster calculations of parity nonconservation in Ba+ by the sum-over-states approach

Geetha Gopakumar; Bhanu Pratap Das; R K Chaudhuri; D Mukherjee; K Hirao

doi:10.1063/1.2404664

Relativistic coupled-cluster calculations of parity nonconservation in Ba+ by the sum-over-states approach

J Chem Phys. 2007 Jan 7;126(1):014301. doi: 10.1063/1.2404664.

Authors

Geetha Gopakumar¹, Bhanu Pratap Das, R K Chaudhuri, D Mukherjee, K Hirao

Affiliation

¹ Department of Applied Chemistry, University of Tokyo, Tokyo 113-8656, Japan.

PMID: 17212492
DOI: 10.1063/1.2404664

Abstract

The authors present the results of their calculation for the parity nonconserving 5p(6)6s(1/2)-->5p(6)5d(3/2) transition in Ba+ using the relativistic coupled-cluster theory in the singles, doubles, and partial triples approximation. The contributions from the leading intermediate states are explicitly considered. It is found that the largest contribution comes from the |5p(6)6p(1/2)> state. Their results are in reasonable agreement with other calculations.