Abstract

A new method for utilizing different orbitals for different spins is proposed which obviates the procedures usually employed to project states of desired multiplicities out of a single determinantal function. The method, which calculates an approximation to a spatial eigenfunction of the Hamiltonian rather than to the total wavefunction itself, serves to simplify calculations not only for alternant molecular orbitals, but also for wavefunctions of the valence-bond and nonpaired spatial-orbital type.

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