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Path integral's formulation of the molecular solvent effects
Authors:Julio Marañón
Affiliation:(1) PROFIMO, Departamento de Física, Facultadde Ciencias Exactas, Universidad Nacional de La Plata, C. C. 67 (1900) La Plata, Argentina
Abstract:With the formalism of the path-integral into molecular-orbital theory, we introduce the quaturn fluctuation into the molecular ground state. As a consequence, a non-linear formulation of the molecular orbitals is obtained. Then, we connect the non-linear term of the effective Hamiltonian with the solvent effects of the environment surrounding the molecular system, and explain this mechanism.
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