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The GMCSC Method

As stated in the Introduction, the GMCSC method [1][2][25] is, in its roots, a multiconfiguration generalization of the well known spin-coupled approach [3]-[6]. [Pg.282]

The GMCSC wavefunction for a system of Ne electrons coupled to a resultant spin of S, with projection M (atomic units) along any given axis, can be written as [2]  [Pg.282]

In the above equation, Nc is the fixed, but arbitrary, number of configurations included in the wavefunction, da the a-th configuration coefficient and [Pg.282]

Note x is used to denote collectively the space and spin coordinates of all electrons, while r denotes their space coordinates and a their spin coordinates. [Pg.282]

A stands for the antisymmetrizer in its usual idempotent form (hence the V (TV, ) in front of it in Eq. (2)), and Pa is a product of Ne orbitals (orbital string, or orbital configuration), [Pg.282]


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