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Open-Shell coupled-cluster method: Variational and nonvariational calculation of ionization potentials

✍ Scribed by Azizul Haque; Uzi Kaldor


Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
421 KB
Volume
29
Category
Article
ISSN
0020-7608

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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-