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Saddle-point expansion in molecular-orbital theory
Authors:Julio Maran
Institution:Julio Marañón
Abstract:We propose a novel method for calculation of the electronic correlation energy of molecular systems in the path integral formalism. The procedure consists of saddle-point expansion of the path integral around the Hartree–Fock energy. By one loop-expansion of the molecular path integral into the generalized space phase of the molecular orbitals, the shift energy is obtained.
Keywords:
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