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Two simple sorts of VB functions

Of these two schemes, it appears that the standard tableaux functions have properties that allow more efficient evaluation. This is directly related to the occurrence of the J f on the outside of OAfVAf. Tableau functions have the most antisymmetry possible remaining after the spin eigenfunction is formed. The HLSP functions have the least. Thus the standard tableaux functions are closer to single determinants, with their many properties that provide for efficient manipulation. Our discussion of evaluation methods will therefore be focused on them. Since the two sets are equivalent, methods for writing the HLSP functions in terms of the others allow us to compare results for weights (see Section 1.1) of bonding patterns where this [Pg.87]

These considerations are independent of the nature of the orbitals other than their required linear independence. Thus, D is the size of the full Hamiltonian matrix in either a VB treatment or an orthogonal molecular orbital [Pg.87]

One may compare this difference with Goddard s[41] discussion of what he termed the G1 and Gf methods. [Pg.87]

We note finally that if P = for a particular product function the standard tableaux function and HLSP function are the same. [Pg.88]


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