@article {47358,
	title = {Resonance study: effect of partial triples excitation using complex absorbing potential-based Fock-space multi-reference coupled cluster},
	journal = {International Journal of Quantum Chemistry},
	volume = {121},
	year = {2021},
	month = {SEP},
	pages = {e26738},
	type = {Article; Early Access},
	abstract = {<p>Resonances are metastable states with finite lifetime. They play important role in physics, chemistry and biology. The theoretical calculation of resonance state is a challenging problem. In this paper we have studied the shape resonance of Be, Mg, N-2 and CO. We have used correlated independent particle approximation to the Fock space multi-reference coupled cluster singles-doubles with third-order triples (CAP-CIP-FSMRCCSD(T)) method augmented by complex absorption potential. The resonance energy and decay widths are obtained by solving a non-Hermitian eigen-value problem within FSMRCC framework. The effects of the lowest order triples on the resonance energy and decay are studied.</p>},
	keywords = {complex absorbing potential, electron affinity, Fock\&\#8208, negative ion resonance, partial triples, space MRCC},
	issn = {0020-7608},
	doi = {10.1002/qua.26738, Early Access Date = MAY 2021},
	author = {Jana, Irina and Basumallick, Suhita and Pal, Sourav and Vaval, Nayana}
}
