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Communications: Explicitly correlated equation-of-motion coupled cluster method for ionized states
6.J. Noga, W. Klopper, and W. Kutzelnigg, in Recent Advances in Coupled-Cluster Methods, edited by R. J. Bartlett (World Scientific, Singapore, 1997).
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The ionization potential equation-of-motion (IP-EOM) method, based on linear explicitly correlated coupled cluster singles and doubles theory [CCSD(F12)] is reported. Numerical tests have shown that the present IP-EOM-CCSD(F12) method provides vertical IPs accurate to 0.05 eV compared to those in the complete basis set limit. The corresponding error in vertical IP of shells does not exceed 0.1 eV.
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