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

William H. Miller; Shenghua Shi

doi:10.1063/1.442286

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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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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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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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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Integral total reactive cross section calculations within the infinite order sudden approximation

Chemical Physics Letters ◽

10.1016/0009-2614(79)87220-6 ◽

1979 ◽

Vol 68 (2-3) ◽

pp. 378-381 ◽

Cited By ~ 24

Author(s):

M. Baer ◽

V. Khare ◽

D.J. Kouri

Keyword(s):

Cross Section ◽

Infinite Order ◽

Sudden Approximation ◽

Reactive Cross Section

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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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Two angle dependent reactive infinite order sudden approximation

The Journal of Chemical Physics ◽

10.1063/1.447126 ◽

1984 ◽

Vol 80 (7) ◽

pp. 3114-3122 ◽

Cited By ~ 5

Author(s):

J. Jellinek ◽

D. J. Kouri

Keyword(s):

Infinite Order ◽

Sudden Approximation

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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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reaction path Hamiltonian

Catalysis from A to Z ◽

10.1002/9783527809080.cataz14089 ◽

2020 ◽

Author(s):

C. Sloby

Keyword(s):

Reaction Path ◽

Reaction Path Hamiltonian

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On the form of rotational relaxation matrix in the infinite-order sudden approximation corrected for energy and frequency

The 14th international conference on spectral line shapes ◽

10.1063/1.58338 ◽

1999 ◽

Author(s):

A. P. Kouzov

Keyword(s):

Infinite Order ◽

Rotational Relaxation ◽

Relaxation Matrix ◽

Sudden Approximation

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A reaction path Hamiltonian defined on a Newton path

The Journal of Chemical Physics ◽

10.1063/1.1472514 ◽

2002 ◽

Vol 116 (20) ◽

pp. 8713-8722 ◽

Cited By ~ 16

Author(s):

Javier González ◽

Xavier Giménez ◽

Josep Maria Bofill

Keyword(s):

Reaction Path ◽

Reaction Path Hamiltonian

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