<?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%">Ravichandran, Lalitha</style></author><author><style face="normal" font="default" size="100%">Joshi, Sayali</style></author><author><style face="normal" font="default" size="100%">Vaval, Nayana</style></author></authors><secondary-authors><author><style face="normal" font="default" size="100%">Chaudhuri, R. K.</style></author><author><style face="normal" font="default" size="100%">Mekkaden, M. V.</style></author><author><style face="normal" font="default" size="100%">Raveendran, A. V.</style></author><author><style face="normal" font="default" size="100%">Narayanan, A. S.</style></author></secondary-authors></contributors><titles><title><style face="normal" font="default" size="100%">Chemical shielding of closed-shell molecules using extended coupled-cluster theory</style></title><secondary-title><style face="normal" font="default" size="100%">International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives</style></secondary-title><tertiary-title><style face="normal" font="default" size="100%">Astrophysics and Space Science Proceedings</style></tertiary-title></titles><dates><year><style  face="normal" font="default" size="100%">2010</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAR</style></date></pub-dates></dates><publisher><style face="normal" font="default" size="100%">Springer</style></publisher><pub-location><style face="normal" font="default" size="100%">233 Spring Street, New York, NY 10013, United States</style></pub-location><pages><style face="normal" font="default" size="100%">111-121</style></pages><isbn><style face="normal" font="default" size="100%">978-3-642-10321-6</style></isbn><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;In this paper we report calculation of the nuclear magnetic shielding constant using extended coupled cluster response approach. We present the results for the HF, BH, CO and N(2) molecules. These results show importance of correlation corrections for the shielding constant.&lt;/p&gt;</style></abstract><notes><style face="normal" font="default" size="100%">International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives, Indian Inst Astrophys, Kodaikanal Observatory, Bangalore, INDIA, JAN 28-31, 2009</style></notes></record><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%">Bag, Arijit</style></author><author><style face="normal" font="default" size="100%">Bhattacharya, S.</style></author><author><style face="normal" font="default" size="100%">Pal, S.</style></author></authors><secondary-authors><author><style face="normal" font="default" size="100%">Chaudhuri, R. K.</style></author><author><style face="normal" font="default" size="100%">Mekkaden, M. V.</style></author><author><style face="normal" font="default" size="100%">Raveendran, A. V.</style></author><author><style face="normal" font="default" size="100%">Narayanan, A. S.</style></author></secondary-authors></contributors><titles><title><style face="normal" font="default" size="100%">Static hyper-polarizability of open shell molecules computed at the FSMRCCSD level using constrained variational approach</style></title><secondary-title><style face="normal" font="default" size="100%">International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives</style></secondary-title><tertiary-title><style face="normal" font="default" size="100%">Astrophysics and Space Science Proceedings</style></tertiary-title></titles><dates><year><style  face="normal" font="default" size="100%">2010</style></year><pub-dates><date><style  face="normal" font="default" size="100%">FEB</style></date></pub-dates></dates><publisher><style face="normal" font="default" size="100%">Springer</style></publisher><pub-location><style face="normal" font="default" size="100%">233 Spring Street, New York, NY 10013, United States</style></pub-location><pages><style face="normal" font="default" size="100%">99-109</style></pages><isbn><style face="normal" font="default" size="100%">978-3-642-10321-6</style></isbn><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;In recent years, there has been a significant development in the analytic derivatives of energy with respect to electric fields based on the state-of-the-art multi-reference coupled-cluster method using Lagrangian based constrained variational approach. So far, the Lagrangian based Fock space multi-reference coupled cluster (FSMRCC) method has been successfully used to calculate electrical dipole moment and polarizability of open shell molecules, particularly, doublet radicals at the ground state and the electronic excited states of closed shell molecules. In this article, Lagrangian based FSMRCC method has been implemented for the first time for calculation of hyper polarizabilites of a few doublet radicals such as OH, OF, NO and NO(2). Orbital-relaxed finite field FSMRCC values are reported for comparison.&lt;/p&gt;</style></abstract><notes><style face="normal" font="default" size="100%">International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives, Indian Inst Astrophys, Kodaikanal Observatory, Bangalore, INDIA, JAN 28-31, 2009</style></notes></record></records></xml>