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CR-EOM CCSD

Fig. 4 The EOM-CCSD potential energy curves of Cr(CO)6 along the Cr-COaxial bond elongation. Regions of the avoided crossing of E states are indicated by ellipses. Adapted from [13]... Fig. 4 The EOM-CCSD potential energy curves of Cr(CO)6 along the Cr-COaxial bond elongation. Regions of the avoided crossing of E states are indicated by ellipses. Adapted from [13]...
State Orbital picture MC-SCF (8,24) GMC-QDPT (8.24) Exptl MRCf CASPT2 EOM-CC° CCSD CIS-MP2 = SAC-Cr... [Pg.520]

See other pages where CR-EOM CCSD is mentioned: [Pg.304]    [Pg.321]    [Pg.48]    [Pg.400]    [Pg.404]    [Pg.478]    [Pg.481]    [Pg.48]    [Pg.48]    [Pg.61]    [Pg.61]    [Pg.61]    [Pg.29]    [Pg.274]    [Pg.276]    [Pg.304]    [Pg.321]    [Pg.48]    [Pg.400]    [Pg.404]    [Pg.478]    [Pg.481]    [Pg.48]    [Pg.48]    [Pg.61]    [Pg.61]    [Pg.61]    [Pg.29]    [Pg.274]    [Pg.276]    [Pg.121]    [Pg.229]    [Pg.91]    [Pg.231]    [Pg.233]   
See also in sourсe #XX -- [ Pg.400 ]



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CCSD

EOM-CCSD

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