Path integral's formulation of the molecular solvent effects

Autores
Marañón, Julio
Año de publicación
1994
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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
Materia
Física
Ciencias Exactas
molecular ground state
quatum fluctuation
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/139600
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/139600
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Path integral's formulation of the molecular solvent effectsMarañón, JulioFísicaCiencias Exactasmolecular ground statequatum fluctuationWith 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 Exactas1994info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf19-26http://sedici.unlp.edu.ar/handle/10915/139600enginfo:eu-repo/semantics/altIdentifier/issn/0259-9791info:eu-repo/semantics/altIdentifier/issn/1572-8897info:eu-repo/semantics/altIdentifier/doi/10.1007/bf01169192info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-11-05T13:11:21Zoai:sedici.unlp.edu.ar:10915/139600Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-11-05 13:11:22.251SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Path integral's formulation of the molecular solvent effects
title Path integral's formulation of the molecular solvent effects
spellingShingle Path integral's formulation of the molecular solvent effects
Marañón, Julio
Física
Ciencias Exactas
molecular ground state
quatum fluctuation
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
dc.creator.none.fl_str_mv Marañón, Julio
author Marañón, Julio
author_facet Marañón, Julio
author_role author
dc.subject.none.fl_str_mv Física
Ciencias Exactas
molecular ground state
quatum fluctuation
topic Física
Ciencias Exactas
molecular ground state
quatum fluctuation
dc.description.none.fl_txt_mv 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
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.
publishDate 1994
dc.date.none.fl_str_mv 1994
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/139600
url http://sedici.unlp.edu.ar/handle/10915/139600
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0259-9791
info:eu-repo/semantics/altIdentifier/issn/1572-8897
info:eu-repo/semantics/altIdentifier/doi/10.1007/bf01169192
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
19-26
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.087074

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