Articulo
Path integral's formulation of the molecular solvent effects
Registro en:
issn:0259-9791
issn:1572-8897
Autor
Marañón, Julio
Institución
Resumen
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. Facultad de Ciencias Exactas