@article { ISI:000231714000001,
	title = {Electronic spectra and ionization potentials of halogen oxides using the fock space coupled-cluster method},
	journal = {Collection of Czechoslovac Chemical Communications},
	volume = {70},
	number = {7},
	year = {2005},
	month = {JAN},
	pages = {851-863},
	publisher = {INST ORGANIC CHEM AND BIOCHEM},
	type = {Article},
	address = {ACAD SCI CZECH REPUBLIC, FLEMINGOVO NAM 2, PRAGUE 6 166 10, CZECH REPUBLIC},
	abstract = {<p>The ionization potentials and excitation energies of halogen monoxides and dihalogen oxides are studied using fully size-extensive Fock space version of multi-reference coupled-cluster theory. The low-lying excited states of ClO-, FO-, Cl2O and F2O are obtained along with the ionization spectra of Cl2O and F2O. The adiabatic electron affinity of ClO, FO and the vertical detachment energy of ClO- and FO- are also presented.</p>},
	issn = {0010-0765},
	doi = {10.1135/cccc20050851},
	author = {Vaval, N and Manohar, Prashant Uday and Pal, S}
}
@article { ISI:000319006300007,
	title = {Extended coupled cluster through nth perturbation order for molecular response properties: a comparative study},
	journal = {Chemical Physics},
	volume = {417},
	year = {2013},
	month = {MAY},
	pages = {45-51},
	publisher = {ELSEVIER SCIENCE BV},
	address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	abstract = {<p>In this paper, we have presented and analyzed the extended coupled cluster (ECC) energy functional, truncated up to nth perturbation order in which expansion is limit to operators of the single and double excitations. The expression for the first order energy derivatives based on the above truncation schemes has been derived and numerically analyzed. We have done a comparative study for dipole moment in various perturbative ECC (n) methods (2 \&lt;= n \&lt;= 5) for three systems (HF, H2O and BH) at equilibrium geometry. We have particularly studied two variants of ECC (4) and ECC (5*) method for stretched geometry. We have analyzed the contribution of important terms present in ECC functional based on perturbative argument. We have compared our results with standard coupled cluster (CCSD) as well as cubic truncated ECC and also benchmarked with the full CI results wherever available. (c) 2013 Elsevier B.V. All rights reserved.</p>},
	keywords = {Dipole moment, Energy functional, Extended coupled cluster},
	issn = {0301-0104},
	doi = {10.1016/j.chemphys.2013.03.012},
	author = {Gupta, Jitendra and Manohar, Prashant Uday and Ghosh, Aryya and Vaval, Nayana and Pal, Sourav}
}
