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EOM-CC Calculations For Ionized States

input and output for an EOM-CCSD calculation of IPs via the ESTATE_SYM keyword
input and output for an EOM-CCSD calculation of IPs via %excite*
input and output for an EOM-CC2 calculation of IPs
input and output for an EOM-CCSD(2) calculation of IPs
input and output for an EOM-CCSD calculation of IPs for an open-shell system

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Page last modified on December 01, 2010, at 11:21 AM
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CFOUR is partially supported by the U.S. National Science Foundation.