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Li2 ground and excited states by the open-shell coupled-cluster method

✍ Scribed by Uzi Kaldor

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
518 KB
Volume
140
Category
Article
ISSN
0301-0104

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## Abstract The theory for the analytical energy gradients of excited electronic state described by equation of motion couped‐cluster method (EOM‐CC) (Stanton, J Chem Phys, 1993, 99, 8840) has been generalized to molecules in solution within the polarizable continuum model (PCM) framework (MiertuΕ‘