New derivation of the Waller–Hartree–Fock spatial wave function |
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Authors: | Ruben Pauncz |
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Abstract: | A new derivation is given for the Waller–Hartree–Fock double-determinantal spatial wave function. One starts from the single-determinant wave function in which a orbitals are doubly occupied, and decomposes it into a sum of products of spatial and spin functions. The spatial product of the first genealogical spin eigenfunction is a double-determinantal function. The derivation is based on the simple form of U1?(P) when the representation matrix is obtained from the genealogical spin eigenfunction. |
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