Mahapatra, U. S; Banerjee, Debi; Chaudhuri, R. K; Chattopadhyay, S
(Taylor & Francis, 2015-06)
We present a study on the performance of our iterative triples correction for the coupled cluster singles and doubles excitations (CCSDT-1a+d) method for computation of potential energy surface (PES), spectroscopic constants, ...