Reaction-path Hamiltonian model of partial widths for vibrationally elastic and inelastic decay of adiabatically trapped reactive resonances

Rex T. Skodje; David W. Schwenke; Donald G. Truhlar; Bruce C. Garrett

doi:10.1021/j150647a057

Reaction-path Hamiltonian model of partial widths for vibrationally elastic and inelastic decay of adiabatically trapped reactive resonances

The Journal of Physical Chemistry ◽

10.1021/j150647a057 ◽

1984 ◽

Vol 88 (3) ◽

pp. 628-636 ◽

Cited By ~ 19

Author(s):

Rex T. Skodje ◽

David W. Schwenke ◽

Donald G. Truhlar ◽

Bruce C. Garrett

Keyword(s):

Reaction Path ◽

Hamiltonian Model ◽

Reaction Path Hamiltonian

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Calculation of partial widths and isotope effects for reactive resonances by a reaction‐path Hamiltonian model: Test against accurate quantal results for a twin‐saddle point system

The Journal of Chemical Physics ◽

10.1063/1.447176 ◽

1984 ◽

Vol 80 (8) ◽

pp. 3569-3573 ◽

Cited By ~ 12

Author(s):

Rex T. Skodje ◽

David W. Schwenke ◽

Donald G. Truhlar ◽

Bruce C. Garrett

Keyword(s):

Saddle Point ◽

Model Test ◽

Reaction Path ◽

Isotope Effects ◽

Point System ◽

Hamiltonian Model ◽

Saddle Point System ◽

Reaction Path Hamiltonian

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Smolyak representations with absorbing boundary conditions for reaction path Hamiltonian model of reactive scattering

Chemical Physics Letters ◽

10.1016/j.cplett.2021.139241 ◽

2021 ◽

pp. 139241

Author(s):

Lucien Dupuy ◽

David Lauvergnat ◽

Yohann Scribano

Keyword(s):

Boundary Conditions ◽

Reaction Path ◽

Absorbing Boundary Conditions ◽

Reactive Scattering ◽

Absorbing Boundary ◽

Hamiltonian Model ◽

Reaction Path Hamiltonian

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Unified semiclassical perturbation and infinite order sudden approximation, with application to the reaction path Hamiltonian model

The Journal of Chemical Physics ◽

10.1063/1.442286 ◽

1981 ◽

Vol 75 (5) ◽

pp. 2258-2264 ◽

Cited By ~ 36

Author(s):

William H. Miller ◽

Shenghua Shi

Keyword(s):

Infinite Order ◽

Reaction Path ◽

Hamiltonian Model ◽

Sudden Approximation ◽

Reaction Path Hamiltonian

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On evaluating the reaction path Hamiltonian

The Journal of Chemical Physics ◽

10.1063/1.454172 ◽

1988 ◽

Vol 88 (2) ◽

pp. 922-935 ◽

Cited By ~ 437

Author(s):

Michael Page ◽

James W. McIver

Keyword(s):

Reaction Path ◽

Reaction Path Hamiltonian

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Tunneling splittings in vibrational spectra of non-rigid molecules. X. Reaction path Hamiltonian as zero-order approximation

Chemical Physics ◽

10.1016/s0301-0104(01)00433-5 ◽

2001 ◽

Vol 271 (1-2) ◽

pp. 165-182 ◽

Cited By ~ 12

Author(s):

V.A. Benderskii ◽

E.V. Vetoshkin ◽

H.P. Trommsdorff

Keyword(s):

Vibrational Spectra ◽

Reaction Path ◽

Order Approximation ◽

Zero Order ◽

Tunneling Splittings ◽

Zero Order Approximation ◽

Reaction Path Hamiltonian

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