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State-universal MRCC

Various flavours of MRCC have been formulated to tackle these problems. State-universal MRCC (SUMRCC) employs separate wave operators for each reference determinant [69]... [Pg.78]

In this paper, we have presented several aspects of the unitary group adapted MRCCs of the state-specific and state-universal type ... [Pg.46]

Columbus is also a multipurpose multifunction electronic structure code, developed mainly by the Shavitt and Pitzer groups at Ohio State University. The strength of Columbus is in multireference calculations, which include MRCI and MRCC approaches. A specialized and modified program, called CIDBG, is capable of performing spin-orbit Cl using relativistic ECP. This program has been implemented for massively parallel environments. ... [Pg.131]

See other pages where State-universal MRCC is mentioned: [Pg.474]    [Pg.586]    [Pg.28]    [Pg.32]    [Pg.474]    [Pg.586]    [Pg.28]    [Pg.32]    [Pg.297]    [Pg.16]    [Pg.583]    [Pg.233]    [Pg.242]    [Pg.30]    [Pg.33]    [Pg.79]    [Pg.32]    [Pg.37]    [Pg.114]    [Pg.299]    [Pg.165]   


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State universal

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