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On the equations of motion of shells in the reference state

โœ Scribed by Habip, L. M. ;Ebcioglu, I. K.


Publisher
Springer-Verlag
Year
1965
Weight
365 KB
Volume
34
Category
Article
ISSN
1432-0681

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The equation-of-motion coupled-cluster m
โœ Donald C. Comeau; Rodney J. Bartlett ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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-