01757nas a2200181   4500008004100000022001400041245016900055210006900224260012500293300001100418490000800429520092800437100001601365700002801381700001801409700001601427856013201443       2009                        eng d  a0021-960600aFirst- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach0 aFirst and secondorder electrical properties computed at the FSMR  aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJUL  a0241020 v1313 a<p>Fock space multireference coupled-cluster (FSMRCC) method emerged as an efficient tool to describe the electronic structure of nearly degenerate cases. Development of linear response has been one of the challenging problems in FSMRCC due to the multiple-root nature of the effective Hamiltonian. A response from any of the roots would span the space for getting the properties. Hence, all roots perturbed by the external field would proliferate the excited states. We recently developed the FSMRCC method for the efficient evaluation of analytic response properties using a constrained variation approach. In this paper, we present analytic dipole moments and polarizabilities of H2O, O-3, and CH+ molecules in low-lying excited states along with brief discussion of singlet triplet decoupling of (1,1) sector of FSMRCC resulting from spin adaptation. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3167796]</p>1 aBag, Arijit1 aManohar, Prashant, Uday1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/first-and-second-order-electrical-properties-computed-fsmrccsd-level-excited-states-closed-000637nas a2200157   4500008004100000245012300041210006900164260000800233300001200241490000800253100002600261700002700287700001800314700001600332856013100348       2012                        eng d00aFock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals0 aFockspace multireference coupledcluster response with the effect  cJAN  a223-2320 v1241 aRavichandran, Lalitha1 aBhattacharya, Debarati1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/fock-space-multi-reference-coupled-cluster-response-effect-triples-dipole-moment-clo-and-sf01243nas a2200205   4500008004100000022001400041245007900055210006900134260006700203300001400270490000800284520045300292653004600745653005300791653002000844100002700864700001800891700001600909856011200925       2013                        eng d  a0020-760800aFock space multireference coupled cluster theory: study of shape resonance0 aFock space multireference coupled cluster theory study of shape   a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUN  a1690-16950 v1133 a<p>The complex absorbing potential along with correlated independent particle potential (CIP) Fock space multireference coupled cluster method is used for the study of resonances. We have studied shape resonance of e(-) - F-2, e(-) - N2O and e(-) -CO molecules. In particular, we have studied e(-) - F-2 scattering at different bond lengths to know whether F-2(-) is bound at the equilibrium bond length of F-2. (C) 2013 Wiley Periodicals, Inc.</p>10acorrelated independent particle potential10aFock-space multireference coupled cluster theory10ashape resonance1 aBhattacharya, Sumantra1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/fock-space-multireference-coupled-cluster-theory-study-shape-resonance-0