Quantum reactive scattering in three dimensions: Using tangent-sphere coordinates to smoothly transform from hyperspherical to Jacobi regions

Gregory A. Parker; Mark Keil; Michael A. Morrison; Stefano Crocchianti

doi:10.1063/1.481876

Quantum reactive scattering in three dimensions: Using tangent-sphere coordinates to smoothly transform from hyperspherical to Jacobi regions

The Journal of Chemical Physics ◽

10.1063/1.481876 ◽

2000 ◽

Vol 113 (3) ◽

pp. 957-970 ◽

Cited By ~ 2

Author(s):

Gregory A. Parker ◽

Mark Keil ◽

Michael A. Morrison ◽

Stefano Crocchianti

Keyword(s):

Three Dimensions ◽

Reactive Scattering ◽

Tangent Sphere ◽

Quantum Reactive Scattering

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Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. tests on H+H2 and D+H2

Chemical Physics Letters ◽

10.1016/0009-2614(87)80630-9 ◽

1987 ◽

Vol 137 (6) ◽

pp. 564-568 ◽

Cited By ~ 61

Author(s):

Gregory A. Parker ◽

Russell T. Pack ◽

Billy J. Archer ◽

Robert B. Walker

Keyword(s):

Three Dimensions ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. III. Small θ behavior and corrigenda

The Journal of Chemical Physics ◽

10.1063/1.455862 ◽

1989 ◽

Vol 90 (7) ◽

pp. 3511-3519 ◽

Cited By ~ 81

Author(s):

Russell T Pack ◽

Gregory A. Parker

Keyword(s):

Three Dimensions ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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Quantum reactive scattering in three dimensions using adiabatically adjusting principal axis hyperspherical coordinates: Periodic distributed approximating functional method for surface functions

The Journal of Chemical Physics ◽

10.1063/1.1526835 ◽

2003 ◽

Vol 118 (2) ◽

pp. 569-581 ◽

Cited By ~ 2

Author(s):

Keming Zhang ◽

Gregory A. Parker ◽

Donald J. Kouri ◽

David K. Hoffman ◽

Srinivasan S. Iyengar

Keyword(s):

Principal Axis ◽

Functional Method ◽

Three Dimensions ◽

Reactive Scattering ◽

Hyperspherical Coordinates ◽

Quantum Reactive Scattering

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Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. Theory

The Journal of Chemical Physics ◽

10.1063/1.452944 ◽

1987 ◽

Vol 87 (7) ◽

pp. 3888-3921 ◽

Cited By ~ 464

Author(s):

Russell T Pack ◽

Gregory A. Parker

Keyword(s):

Three Dimensions ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. VI. Analytic basis method for surface functions

The Journal of Chemical Physics ◽

10.1063/1.464778 ◽

1993 ◽

Vol 98 (9) ◽

pp. 6883-6896 ◽

Cited By ~ 43

Author(s):

Gregory A. Parker ◽

Russell T Pack

Keyword(s):

Three Dimensions ◽

Reactive Scattering ◽

Basis Method ◽

Quantum Reactive Scattering

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Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. IV. Discrete variable representation (DVR) basis functions and the analysis of accurate results for F+H2

The Journal of Chemical Physics ◽

10.1063/1.457976 ◽

1990 ◽

Vol 92 (4) ◽

pp. 2344-2361 ◽

Cited By ~ 87

Author(s):

Z. Bačić ◽

J. D. Kress ◽

G. A. Parker ◽

R. T Pack

Keyword(s):

Basis Functions ◽

Three Dimensions ◽

Reactive Scattering ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Variable Representation ◽

Quantum Reactive Scattering

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Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. 5. Comparison between two accurate potential energy surfaces for hydrogen atom + hydrogen and deuterium atom + hydrogen

The Journal of Physical Chemistry ◽

10.1021/j100384a016 ◽

1990 ◽

Vol 94 (21) ◽

pp. 8055-8058 ◽

Cited By ~ 10

Author(s):

J. D. Kress ◽

Z. Bacic ◽

G. A. Parker ◽

R. T. Pack

Keyword(s):

Hydrogen Atom ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Deuterium Atom ◽

Three Dimensions ◽

Reactive Scattering ◽

Energy Surfaces ◽

Quantum Reactive Scattering

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Quantum reactive scattering studies of the CN + H2 → HCN + H reaction: the role of the non-reactive CN bond

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01444-3 ◽

1997 ◽

Vol 265 (3-5) ◽

pp. 410-417 ◽

Cited By ~ 16

Author(s):

Toshiyuki Takayanagi ◽

George C. Schatz

Keyword(s):

Reactive Scattering ◽

Quantum Reactive Scattering

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Non-adiabatic quantum reactive scattering calculations for the ultracold hydrogen exchange reaction: H + H2(v=4-8,j=0) → H + H2(v′,j′)

Chemical Physics ◽

10.1016/j.chemphys.2018.07.001 ◽

2018 ◽

Vol 515 ◽

pp. 387-399 ◽

Cited By ~ 4

Author(s):

Brian K. Kendrick

Keyword(s):

Exchange Reaction ◽

Hydrogen Exchange ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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Quantum reactive scattering with a deep well: Time‐dependent calculation for H+O2reaction and bound state characterization for HO2

The Journal of Chemical Physics ◽

10.1063/1.467551 ◽

1994 ◽

Vol 101 (5) ◽

pp. 3671-3678 ◽

Cited By ~ 208

Author(s):

Dong H. Zhang ◽

John Z. H. Zhang

Keyword(s):

Bound State ◽

Time Dependent ◽

Reactive Scattering ◽

Deep Well ◽

Quantum Reactive Scattering

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Quantum reactive scattering in three dimensions: Using tangent-sphere coordinates to smoothly transform from hyperspherical to Jacobi regions

Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. tests on H+H2 and D+H2

Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. III. Small θ behavior and corrigenda

Quantum reactive scattering in three dimensions using adiabatically adjusting principal axis hyperspherical coordinates: Periodic distributed approximating functional method for surface functions

Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. Theory

Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. VI. Analytic basis method for surface functions

Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. IV. Discrete variable representation (DVR) basis functions and the analysis of accurate results for F+H2

Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. 5. Comparison between two accurate potential energy surfaces for hydrogen atom + hydrogen and deuterium atom + hydrogen

Quantum reactive scattering studies of the CN + H2 → HCN + H reaction: the role of the non-reactive CN bond

Non-adiabatic quantum reactive scattering calculations for the ultracold hydrogen exchange reaction: H + H2(v=4-8,j=0) → H + H2(v′,j′)

Quantum reactive scattering with a deep well: Time‐dependent calculation for H+O2reaction and bound state characterization for HO2

Non-adiabatic quantum reactive scattering calculations for the ultracold hydrogen exchange reaction: H + H2(v=4-8,j=0) → H + H2(v′,j′)