<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>47</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Manohar, Prashant Uday</style></author><author><style face="normal" font="default" size="100%">Pal, Sourav</style></author></authors><secondary-authors><author><style face="normal" font="default" size="100%">Maroulis, G</style></author><author><style face="normal" font="default" size="100%">Simos, TE</style></author></secondary-authors></contributors><titles><title><style face="normal" font="default" size="100%">Constrained variational response to fock-space multi-reference coupled-cluster theory: formulation for excited-state electronic structure calculations and some pilot applications</style></title><secondary-title><style face="normal" font="default" size="100%">Computational Methods in Science and Engineering Vol 1: Theory and Computation: Old Problems and New Challenges</style></secondary-title><tertiary-title><style face="normal" font="default" size="100%">AIP CONFERENCE PROCEEDINGS</style></tertiary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">CVA</style></keyword><keyword><style  face="normal" font="default" size="100%">Dipole moment</style></keyword><keyword><style  face="normal" font="default" size="100%">excited states</style></keyword><keyword><style  face="normal" font="default" size="100%">FSMRCC</style></keyword><keyword><style  face="normal" font="default" size="100%">polarizability</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2007</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><publisher><style face="normal" font="default" size="100%">European Soc Computat Methods Sci &amp; Engn; Minist Natl Educ &amp; Religious Affairs; E4 Comp Engn</style></publisher><pub-location><style face="normal" font="default" size="100%">2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA</style></pub-location><volume><style face="normal" font="default" size="100%">963</style></volume><pages><style face="normal" font="default" size="100%">337-344</style></pages><isbn><style face="normal" font="default" size="100%">978-0-7354-0477-9</style></isbn><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Fock-space (FS) multi-reference (MR) coupled-cluster (CC) method has emerged as compact tool to account for electronic structure of open-shell systems and molecules in low-lying excited states. Development of linear response (LR) has been one of the challenging problems in FSMRCC due to multiple-root nature of effective Hamiltonian. The recently developed constrained variational approach (CVA) has opened up a promising tool for efficient evaluation of analytic response properties. In this article, we present formulation of the method for excited state calculations. We discuss the decoupling of equations as a result of spin-adaptation and present some preliminary results for analytical dipole moments and polarizabilities of some molecules in low-lying triplet excited states.&lt;/p&gt;</style></abstract><notes><style face="normal" font="default" size="100%">International Conference on Computational Methods in Science and Engineering, Corfu, GREECE, SEP 25-30, 2007</style></notes></record></records></xml>