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Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study; Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study
Lin, SY; Han, KL; He, GZ
Source PublicationCHEMICAL PHYSICS ; CHEMICAL PHYSICS
2001-11-15 ; 2001-11-15
Volume273Issue:2-3Pages:169-174
Indexed BySCI ; SCI
SubtypeArticle ; Article
Department11015 ; 11015
Funding Project1101 ; 1101
WOS HeadingsScience & Technology ; Science & Technology ; Physical Sciences ; Physical Sciences
WOS SubjectChemistry, Physical ; Chemistry, Physical ; Physics, Atomic, Molecular & Chemical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Chemistry ; Physics ; Physics
WOS KeywordABSORPTION CROSS-SECTION ; ABSORPTION CROSS-SECTION ; HARTLEY BAND ; HARTLEY BAND ; PHOTO-DISSOCIATION ; PHOTO-DISSOCIATION ; AUTOCORRELATION FUNCTION ; AUTOCORRELATION FUNCTION ; WAVE-PACKET ; WAVE-PACKET ; SPECTRA ; SPECTRA ; O-3 ; O-3 ; RECURRENCES ; RECURRENCES ; CONTINUUM ; CONTINUUM ; RESONANCE ; RESONANCE
AbstractThe effects of the transition dipole moment function (TDMF) on the dynamics Of O-3 photodissociation in the Hartley band have been exploited by means of exact 3D time-dependent wavepacket method using the SW potential energy surface [J. Chem. Phys. 78 (1983) 7191]. The calculations show that the explicit inclusion of the TDMF results in slight uniform reductions for the intensities of recurrence peaks of the autocorrelation function and a slight broadening of the absorption spectrum, in comparison with the result where the TDMF is assumed to be constant. The pattern of recurrence structures of the autocorrelation function is essentially unaffected. (C) 2001 Elsevier Science B.V. All rights reserved.; The effects of the transition dipole moment function (TDMF) on the dynamics Of O-3 photodissociation in the Hartley band have been exploited by means of exact 3D time-dependent wavepacket method using the SW potential energy surface [J. Chem. Phys. 78 (1983) 7191]. The calculations show that the explicit inclusion of the TDMF results in slight uniform reductions for the intensities of recurrence peaks of the autocorrelation function and a slight broadening of the absorption spectrum, in comparison with the result where the TDMF is assumed to be constant. The pattern of recurrence structures of the autocorrelation function is essentially unaffected. (C) 2001 Elsevier Science B.V. All rights reserved.
Language英语 ; 英语
URL查看原文 ; 查看原文
WOS IDWOS:000172324600008 ; WOS:000172324600008
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Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/83627
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, Ctr Computat Chem, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Lin, SY,Han, KL,He, GZ. Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study, Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study[J]. CHEMICAL PHYSICS, CHEMICAL PHYSICS,2001, 2001,273, 273(2-3):169-174, 169-174.
APA Lin, SY,Han, KL,&He, GZ.(2001).Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study.CHEMICAL PHYSICS,273(2-3),169-174.
MLA Lin, SY,et al."Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study".CHEMICAL PHYSICS 273.2-3(2001):169-174.
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