<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Pal, Sourav</style></author><author><style face="normal" font="default" size="100%">Sajeev, Y.</style></author><author><style face="normal" font="default" size="100%">Vaval, Nayana</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Analytically continued fock space multi-reference coupled-cluster theory: application to the shape resonance</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Physics</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">complex absorbing potential</style></keyword><keyword><style  face="normal" font="default" size="100%">correlated independent particle potential</style></keyword><keyword><style  face="normal" font="default" size="100%">Fock space multi-reference coupled-cluster theory</style></keyword><keyword><style  face="normal" font="default" size="100%">shape resonance</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2006</style></year><pub-dates><date><style  face="normal" font="default" size="100%">OCT</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">1-3, SI</style></number><publisher><style face="normal" font="default" size="100%">ELSEVIER SCIENCE BV</style></publisher><pub-location><style face="normal" font="default" size="100%">PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS</style></pub-location><volume><style face="normal" font="default" size="100%">329</style></volume><pages><style face="normal" font="default" size="100%">283-289</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;The Fock space multi-reference coupled-cluster (FSMRCC) method is used for the study of the shape resonance energy and width in an electron-atom/molecule collision. The procedure is based upon combining a complex absorbing potential (CAP) with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigen-value problem. We study the shape resonances in e(-)-C2H4 and e(-)-Mg. (c) 2006 Elsevier B.V. All rights reserved.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">1-3</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">1.758</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Jana, Irina</style></author><author><style face="normal" font="default" size="100%">Basumallick, Suhita</style></author><author><style face="normal" font="default" size="100%">Pal, Sourav</style></author><author><style face="normal" font="default" size="100%">Vaval, Nayana</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Resonance study: effect of partial triples excitation using complex absorbing potential-based Fock-space multi-reference coupled cluster</style></title><secondary-title><style face="normal" font="default" size="100%">International Journal of Quantum Chemistry</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">complex absorbing potential</style></keyword><keyword><style  face="normal" font="default" size="100%">electron affinity</style></keyword><keyword><style  face="normal" font="default" size="100%">Fock&amp;\#8208</style></keyword><keyword><style  face="normal" font="default" size="100%">negative ion resonance</style></keyword><keyword><style  face="normal" font="default" size="100%">partial triples</style></keyword><keyword><style  face="normal" font="default" size="100%">space MRCC</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">121</style></volume><pages><style face="normal" font="default" size="100%">e26738</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Resonances are metastable states with finite lifetime. They play important role in physics, chemistry and biology. The theoretical calculation of resonance state is a challenging problem. In this paper we have studied the shape resonance of Be, Mg, N-2 and CO. We have used correlated independent particle approximation to the Fock space multi-reference coupled cluster singles-doubles with third-order triples (CAP-CIP-FSMRCCSD(T)) method augmented by complex absorption potential. The resonance energy and decay widths are obtained by solving a non-Hermitian eigen-value problem within FSMRCC framework. The effects of the lowest order triples on the resonance energy and decay are studied.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">17</style></issue><work-type><style face="normal" font="default" size="100%">Article; Early Access</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;1.747&lt;/p&gt;</style></custom4></record></records></xml>