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Direct coupled cluster calculations on excited states
Author(s) -
Adamowicz Ludwik,
Bartlett Rodney J.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560280821
Subject(s) - excited state , cluster (spacecraft) , coupled cluster , atomic physics , physics , quantum mechanics , molecule , computer science , programming language
Abstract Coupled cluster calculations with single and double excitations are examined, with attention to multi‐ and single‐reference calculations for excited states. Illustrative results for Lilt are reported.