Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes

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Our previously developed analytical infinite order sudden (IOS) quantum theory of triatomic photodissociation is extended to describe indirect photodissociation processes through a real or virtual intermediate state. The theory uses the IOS approximation for the dynamics in the final dissociative ch...

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Autores principales: Grinberg, H., Freed, K.F., Williams, C.J.
Formato: Artículo publishedVersion
Lenguaje:Inglés
Publicado: 1997
Materias:
Approximation theory
Calculations
Dissociation
Electron energy levels
Perturbation techniques
Photochemical reactions
Three dimensional
Indirect photodissociation processes
Three dimensional infinite order sudden quantum theory
Triatomic photodissociation
Quantum theory
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v107_n6_p1835_Grinberg
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling paperaa:paper_00219606_v107_n6_p1835_Grinberg2023-06-12T16:43:04Z Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes J Chem Phys 1997;107(6):1835-1848 Grinberg, H. Freed, K.F. Williams, C.J. Approximation theory Calculations Dissociation Electron energy levels Perturbation techniques Photochemical reactions Three dimensional Indirect photodissociation processes Three dimensional infinite order sudden quantum theory Triatomic photodissociation Quantum theory Our previously developed analytical infinite order sudden (IOS) quantum theory of triatomic photodissociation is extended to describe indirect photodissociation processes through a real or virtual intermediate state. The theory uses the IOS approximation for the dynamics in the final dissociative channels and an Airy function approximation for the continuum states. These approximations enable us to evaluate the multi-dimensional non-separable transition amplitudes analytically (as one-dimensional quadratures), despite the different natural coordinates for the initial bound, the intermediate resonant, and the final dissociative states. The fragment internal energy distributions are described as a function of the initial and final quantum states and the photon excitation energy. The theory readily permits the evaluation of rotational distributions for high values of the total angular momentum J in the initial bound molecular state, a feature that would be very difficult with close-coupled methods. In paper II we apply the theory to describe the photofragment yield spectrum of NOCl in the region of the T1(13A″)→S0(11A′) transition. © 1997 American Institute of Physics. Fil:Grinberg, H. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 1997 info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion application/pdf eng info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00219606_v107_n6_p1835_Grinberg
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
language Inglés
orig_language_str_mv eng
topic Approximation theory
Calculations
Dissociation
Electron energy levels
Perturbation techniques
Photochemical reactions
Three dimensional
Indirect photodissociation processes
Three dimensional infinite order sudden quantum theory
Triatomic photodissociation
Quantum theory
spellingShingle Approximation theory
Calculations
Dissociation
Electron energy levels
Perturbation techniques
Photochemical reactions
Three dimensional
Indirect photodissociation processes
Three dimensional infinite order sudden quantum theory
Triatomic photodissociation
Quantum theory
Grinberg, H.
Freed, K.F.
Williams, C.J.
Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes
topic_facet Approximation theory
Calculations
Dissociation
Electron energy levels
Perturbation techniques
Photochemical reactions
Three dimensional
Indirect photodissociation processes
Three dimensional infinite order sudden quantum theory
Triatomic photodissociation
Quantum theory
description Our previously developed analytical infinite order sudden (IOS) quantum theory of triatomic photodissociation is extended to describe indirect photodissociation processes through a real or virtual intermediate state. The theory uses the IOS approximation for the dynamics in the final dissociative channels and an Airy function approximation for the continuum states. These approximations enable us to evaluate the multi-dimensional non-separable transition amplitudes analytically (as one-dimensional quadratures), despite the different natural coordinates for the initial bound, the intermediate resonant, and the final dissociative states. The fragment internal energy distributions are described as a function of the initial and final quantum states and the photon excitation energy. The theory readily permits the evaluation of rotational distributions for high values of the total angular momentum J in the initial bound molecular state, a feature that would be very difficult with close-coupled methods. In paper II we apply the theory to describe the photofragment yield spectrum of NOCl in the region of the T1(13A″)→S0(11A′) transition. © 1997 American Institute of Physics.
format Artículo
Artículo
publishedVersion
author Grinberg, H.
Freed, K.F.
Williams, C.J.
author_facet Grinberg, H.
Freed, K.F.
Williams, C.J.
author_sort Grinberg, H.
title Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes
title_short Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes
title_full Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes
title_fullStr Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes
title_full_unstemmed Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes
title_sort three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes
publishDate 1997
url http://hdl.handle.net/20.500.12110/paper_00219606_v107_n6_p1835_Grinberg
work_keys_str_mv AT grinbergh threedimensionalanalyticalinfiniteordersuddenquantumtheoryfortriatomicindirectphotodissociationprocesses
AT freedkf threedimensionalanalyticalinfiniteordersuddenquantumtheoryfortriatomicindirectphotodissociationprocesses
AT williamscj threedimensionalanalyticalinfiniteordersuddenquantumtheoryfortriatomicindirectphotodissociationprocesses
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