Non-adiabatic quantum reactive scattering in hyperspherical coordinates

Brian K. Kendrick

doi:10.1063/1.5014989

Non-adiabatic quantum reactive scattering in hyperspherical coordinates

The Journal of Chemical Physics ◽

10.1063/1.5014989 ◽

2018 ◽

Vol 148 (4) ◽

pp. 044116 ◽

Cited By ~ 17

Author(s):

Brian K. Kendrick

Keyword(s):

Reactive Scattering ◽

Hyperspherical Coordinates ◽

Quantum Reactive Scattering

Download Full-text

Quantum reactive scattering using hyperspherical coordinates: Results for H+H2 and Cl+HCl

Chemical Physics Letters ◽

10.1016/0009-2614(88)80402-0 ◽

1988 ◽

Vol 150 (1-2) ◽

pp. 92-98 ◽

Cited By ~ 130

Author(s):

George C. Schatz

Keyword(s):

Reactive Scattering ◽

Hyperspherical Coordinates ◽

Quantum Reactive Scattering

Download Full-text

Quantum Reactive Scattering for Three Particle Systems using Hyperspherical Coordinates

Lecture Notes in Chemistry - Reaction and Molecular Dynamics ◽

10.1007/978-3-642-57051-3_6 ◽

2000 ◽

pp. 88-100 ◽

Cited By ~ 3

Author(s):

Gregory A. Parker ◽

Stefano Crocchianti ◽

Mark Keil

Keyword(s):

Particle Systems ◽

Reactive Scattering ◽

Hyperspherical Coordinates ◽

Quantum Reactive Scattering

Download Full-text

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

Download Full-text

Publisher’s Note: “Non-adiabatic quantum reactive scattering in hyperspherical coordinates” [J. Chem. Phys. 148, 044116 (2018)]

The Journal of Chemical Physics ◽

10.1063/1.5025065 ◽

2018 ◽

Vol 148 (6) ◽

pp. 069902

Author(s):

Brian K. Kendrick

Keyword(s):

Chem Phys ◽

Reactive Scattering ◽

Hyperspherical Coordinates ◽

Quantum Reactive Scattering

Download Full-text

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

Download Full-text

Application of hyperspherical coordinates to four‐atom reactive scattering: H2+CN→H+HCN

The Journal of Chemical Physics ◽

10.1063/1.457776 ◽

1990 ◽

Vol 92 (7) ◽

pp. 4178-4190 ◽

Cited By ~ 98

Author(s):

A. N. Brooks ◽

D. C. Clary

Keyword(s):

Reactive Scattering ◽

Hyperspherical Coordinates

Download Full-text

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

Download Full-text

State-to-state three-atom time-dependent reactive scattering in hyperspherical coordinates

The Journal of Chemical Physics ◽

10.1063/1.4789816 ◽

2013 ◽

Vol 138 (5) ◽

pp. 054313 ◽

Cited By ~ 16

Author(s):

Jeff Crawford ◽

Gregory A. Parker

Keyword(s):

Time Dependent ◽

Reactive Scattering ◽

Hyperspherical Coordinates

Download Full-text

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

Download Full-text

Reactive Scattering with Row-Orthonormal Hyperspherical Coordinates. 1. Transformation Properties and Hamiltonian for Triatomic Systems

The Journal of Physical Chemistry ◽

10.1021/jp953195j ◽

1996 ◽

Vol 100 (7) ◽

pp. 2621-2636 ◽

Cited By ~ 31

Author(s):

Aron Kuppermann

Keyword(s):

Reactive Scattering ◽

Hyperspherical Coordinates

Download Full-text

Non-adiabatic quantum reactive scattering in hyperspherical coordinates

Quantum reactive scattering using hyperspherical coordinates: Results for H+H2 and Cl+HCl

Quantum Reactive Scattering for Three Particle Systems using Hyperspherical Coordinates

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

Publisher’s Note: “Non-adiabatic quantum reactive scattering in hyperspherical coordinates” [J. Chem. Phys. 148, 044116 (2018)]

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

Application of hyperspherical coordinates to four‐atom reactive scattering: H2+CN→H+HCN

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

State-to-state three-atom time-dependent reactive scattering in hyperspherical coordinates

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

Reactive Scattering with Row-Orthonormal Hyperspherical Coordinates. 1. Transformation Properties and Hamiltonian for Triatomic Systems

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