@article { ISI:000325400600023,
	title = {CAP/EOM-CCSD method for the study of potential curves of resonant states},
	journal = {Physical Chemistry Chemical Physics},
	volume = {15},
	number = {41},
	year = {2013},
	month = {SEP},
	pages = {17915-17921},
	publisher = {ROYAL SOC CHEMISTRY},
	address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND},
	abstract = {<p>The equation-of-motion coupled-cluster (EOM-CC) method along with the complex absorbing potential (CAP) is used for the study of resonance in e(-)-N-2 and e(-)-CO. Resonance position and width are studied as a function of bond length. We report the potential curves (PC) of the resonance states.</p>},
	issn = {1463-9076},
	doi = {10.1039/c3cp52552j},
	author = {Ghosh, Aryya and Karne, Anagha S. and Pal, Sourav and Vaval, Nayana}
}
@article { ISI:000361649900037,
	title = {Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015)},
	journal = {Chemical Physics Letters},
	volume = {636},
	year = {2015},
	month = {SEP},
	pages = {228-229},
	publisher = {ELSEVIER SCIENCE BV},
	address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	issn = {0009-2614},
	doi = {10.1016/j.cplett.2015.08.034},
	author = {Karne, Anagha S. and Vaval, Nayana and Pal, Sourav and Vasquez-Perez, Jose M. and Koester, Andreas M. and Calaminici, Patrizia}
}
@article { ISI:000362239300030,
	title = {Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities},
	journal = {Chemical Physics Letters},
	volume = {635},
	year = {2015},
	month = {AUG},
	pages = {168-173},
	publisher = {ELSEVIER SCIENCE BV},
	address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	abstract = {<p>A comparative study of dipole moments, polarizabilities and hyperpolarizabilities of 16 different molecules is performed employing two completely different theoretical approaches namely, density functional theory (DFT) and coupled cluster singles and doubles (CCSD). Both methods include electron correlation. The CCSD method is more accurate but highly expensive. DFT with auxiliary density allows non-iterative solutions which is computational advantage and useful for large molecules. Dipole moments and polarizability calculations from DFT are in very good agreement with CCSD calculations. However, negative hyperpolarizability values from DFT differ significantly from their CCSD counterparts, whereas positive hyperpolarizabilities show reasonable agreement between these methodologies. (C) 2015 Elsevier B.V. All rights reserved.</p>},
	issn = {0009-2614},
	doi = {10.1016/j.cplett.2015.06.046},
	author = {Karne, Anagha S. and Vaval, Nayana and Pal, Sourav and Vasquez-Perez, Jose M. and Koester, Andreas M. and Calaminici, Patrizia}
}
