01156nas a2200169   4500008004100000022001400041245009200055210006900147260007100216300001200287490000600299520050100305100002600806700001800832700001600850856012000866       2011                        eng d  a1549-961800aEffect of triples to dipole moments in fock-space multireference coupled cluster method0 aEffect of triples to dipole moments in fockspace multireference   a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR  a876-8830 v73 a<p>In this paper, we present the new implementation of partial triples for the dipole moment of doublet radicals in Lagrangian formulation of Fock-space multireference coupled cluster (A-FSMRCC) response method. We have implemented a specific scheme of noniterative triples, in addition to singles and doubles schemes, which accounts for the effects appearing at least at the third order in dipole moments. The method is applied to the ground states of OH, OOH, HCOO, CN, CH, and PO radicals.</p>1 aRavichandran, Lalitha1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/effect-triples-dipole-moments-fock-space-multireference-coupled-cluster-method-0