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Description of core-excitation spectra by the open-shell electron-attachment equation-of-motion coupled cluster method

✍ Scribed by Nooijen, Marcel; Bartlett, Rodney J.


Book ID
120055919
Publisher
American Institute of Physics
Year
1995
Tongue
English
Weight
723 KB
Volume
102
Category
Article
ISSN
0021-9606

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The equation-of-motion coupled-cluster m
✍ Donald C. Comeau; Rodney J. Bartlett πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 803 KB

The equationof-motion coupled-cluster method (EOM-CCSD) and its quadratic CI (EOM-QCISD) variant for excited states have been implemented in the ACES II program system. Results for open-and closed-shell reference states are reported for Be, N2, CO, 02, and 0,. The results show that EOM-CCSD and EOM-