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Symmetric group graphical approach to the direct configuration interaction method
Authors:Wlodzislaw Duch  Jacek Karwowski
Abstract:An approach to the configuration interaction method based on symmetric groups (SGA ) is developed. The formalism is an alternative of the unitary group approach (UGA ). In many aspects the present formulation seems to be superior to UGA . In particular, in SGA the orbital and the spin parts of the configuration state functions may be processed separately. In consequence its graphical formulation is much simpler and the coupling constant expressions are more compact than the UGA analogs. A special emphasis is put on direct CI implementations. In addition to formulas for coupling constants, explicit expressions allowing for separation of external and internal space contributions are also presented.
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