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The equation-of-motion coupled-cluster method: Excitation energies of Be and CO

✍ Scribed by Jan Geertsen; Magnus Rittby; Rodney J. Bartlett

Book ID
107733419
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
489 KB
Volume
164
Category
Article
ISSN
0009-2614

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An open-shell coupled-cluster method for the direct calculation of excitation energies is presented. As a first test, applications to atomic Be and Ne are carried out, with exact inclusion of T, and T2 operators and lowest-order inclusion of T3. Quasicomplete model spaces are used. Two ionization p