TITLE

A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory

AUTHOR(S)
Nooijen, Marcel; Bartlett, Rodney J.
PUB. DATE
April 1997
SOURCE
Journal of Chemical Physics;4/15/1997, Vol. 106 Issue 15, p6441
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Discusses the first application of the similarity transformed equation-of-motion coupled-cluster method (STEOM-CC) to calculated excited state. STEOM-CC theory from a similarity transform of the second quantized Hamiltonian which strongly reduces the coupling between singly excited determinants; Accuracy of STEOM.
ACCESSION #
4358824

 

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