@article { ISI:000241168600010,
	title = {Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications},
	journal = {Journal of Molecular Structure-Theochem},
	volume = {768},
	number = {1-3},
	year = {2006},
	month = {AUG},
	pages = {91-96},
	publisher = {ELSEVIER SCIENCE BV},
	type = {Article},
	address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	abstract = {<p>Fock space (FS) multi-reference (MR) coupled-cluster (CC) has been established to be state-of-the-art method for energies of open-shell radicals, ionized, electron attached states and excited states. Due to the multi-root nature of the method, the linear response of MRCC, however, is non-trivial. Constrained variation approach (CVA) makes it plausible to calculate response of the MRCC method efficiently. However, the approach is used for only one root of the problem at a time. In the present article, we make first implementation of the approach and present test results of dipole moments of small radicals. (c) 2006 Elsevier B.V. All rights reserved.</p>},
	keywords = {constrained variation, coupled-cluster, Dipole moment, Multi-reference, response},
	issn = {0166-1280},
	doi = {10.1016/j.theochem.2006.05.022},
	author = {Manohar, Prashant Uday and Vaval, Nayana and Pal, Sourav}
}
@conference { ISI:000252146200027,
	title = {Constrained variational response to fock-space multi-reference coupled-cluster theory: formulation for excited-state electronic structure calculations and some pilot applications},
	booktitle = {Computational Methods in Science and Engineering Vol 1: Theory and Computation: Old Problems and New Challenges},
	series = {AIP CONFERENCE PROCEEDINGS},
	volume = {963},
	year = {2007},
	note = {International Conference on Computational Methods in Science and Engineering, Corfu, GREECE, SEP 25-30, 2007},
	month = {SEP},
	pages = {337-344},
	publisher = {European Soc Computat Methods Sci \& Engn; Minist Natl Educ \& Religious Affairs; E4 Comp Engn},
	organization = {European Soc Computat Methods Sci \& Engn; Minist Natl Educ \& Religious Affairs; E4 Comp Engn},
	address = {2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA},
	abstract = {<p>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.</p>},
	keywords = {CVA, Dipole moment, excited states, FSMRCC, polarizability},
	isbn = {978-0-7354-0477-9},
	issn = {0094-243X},
	author = {Manohar, Prashant Uday and Pal, Sourav},
	editor = {Maroulis, G and Simos, TE}
}
