Path integral's formulation of the molecular solvent effects

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 so...

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Detalles Bibliográficos
Autor principal: Marañón, Julio
Formato: Articulo
Lenguaje:Inglés
Publicado: 1994
Materias:
Física
Ciencias Exactas
molecular ground state
quatum fluctuation
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/139600
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-139600
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
Ciencias Exactas
molecular ground state
quatum fluctuation
spellingShingle Física
Ciencias Exactas
molecular ground state
quatum fluctuation
Marañón, Julio
Path integral's formulation of the molecular solvent effects
topic_facet Física
Ciencias Exactas
molecular ground state
quatum fluctuation
description 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.
format Articulo
Articulo
author Marañón, Julio
author_facet Marañón, Julio
author_sort Marañón, Julio
title Path integral's formulation of the molecular solvent effects
title_short Path integral's formulation of the molecular solvent effects
title_full Path integral's formulation of the molecular solvent effects
title_fullStr Path integral's formulation of the molecular solvent effects
title_full_unstemmed Path integral's formulation of the molecular solvent effects
title_sort path integral's formulation of the molecular solvent effects
publishDate 1994
url http://sedici.unlp.edu.ar/handle/10915/139600
work_keys_str_mv AT maranonjulio pathintegralsformulationofthemolecularsolventeffects
bdutipo_str Repositorios
_version_ 1764820458128015361

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