@article { ISI:000345272700002,
	title = {Excited state geometry optimisation using fock-space multi-reference coupled cluster method},
	journal = {Molecular Physics},
	volume = {112},
	number = {22},
	year = {2014},
	month = {NOV},
	pages = {2884-2891},
	publisher = {TAYLOR \& FRANCIS LTD},
	type = {Article},
	address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND},
	abstract = {<p>The Fock-space multi-reference coupled cluster method is used for the geometry optimisation of the low-lying excited states of the molecules. Molecular geometries of the carbon monohydride cation (CH)(+), water (H2O), ozone (O-3) and formaldehyde (HCHO) in their low-lying excited states are optimised. Excited state gradients are calculated using finite field multi-reference coupled cluster method. We compare our results with other theoretical and/or experimental results, wherever available.</p>},
	keywords = {adiabatic excitation energy, excited state, Fock-space multi-reference coupled cluster, geometry optimisation, numerical derivative},
	issn = {0026-8976},
	doi = {10.1080/00268976.2014.915997},
	author = {Dutta, Achintya Kumar and Bhattacharya, Sumantra}
}
