01512nas a2200169   4500008004100000022001400041245014100055210006900196260012500265300001100390490000800401520076400409100001401173700001401187700001101201856013001212       2005                        eng d  a0021-960600aAnalytically continued Fock space multireference coupled-cluster theory: application to the (2)Pi(g) shape resonance in e-N-2 scattering0 aAnalytically continued Fock space multireference coupledcluster   aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJUN  a2343200 v1223 a<p>The technique of Fock space multireference coupled-cluster (FSMRCC) is applied for the first time to the correlated calculation of the energy and width of a shape resonance in an electron-molecule collision. The procedure is based upon combining a complex absorbing potential with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigenvalue problem. The potential-energy curve of the (2)Pi(g) state of N-2(-) is calculated using the FSMRCC and multireference configuration-interaction (MRCI) level of theories. Comparison with the single-determinant Hartree-Fock theory indicates that correlation effects are important in determining the behavior of the resonance state. (C) 2005 American Institute of Physics.</p>1 aSajeev, Y1 aSantra, R1 aPal, S  uhttps://library.ncl.res.in/content/analytically-continued-fock-space-multireference-coupled-cluster-theory-application-2pig-1