Path integral's formulation of the molecular solvent effects |
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Authors: | Julio Marañón |
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Affiliation: | (1) PROFIMO, Departamento de Física, Facultadde Ciencias Exactas, Universidad Nacional de La Plata, C. C. 67 (1900) La Plata, Argentina |
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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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