Preconditioned complex generalized minimal residual algorithm for dense algebraic variational equations in quantum reactive scattering

Melissa S. Reeves; David C. Chatfield; Donald G. Truhlar

doi:10.1063/1.465182

Preconditioned complex generalized minimal residual algorithm for dense algebraic variational equations in quantum reactive scattering

The Journal of Chemical Physics ◽

10.1063/1.465182 ◽

1993 ◽

Vol 99 (4) ◽

pp. 2739-2751 ◽

Cited By ~ 6

Author(s):

Melissa S. Reeves ◽

David C. Chatfield ◽

Donald G. Truhlar

Keyword(s):

Reactive Scattering ◽

Variational Equations ◽

Residual Algorithm ◽

Minimal Residual ◽

Quantum Reactive Scattering

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The quasi‐minimal residual algorithm applied to complex symmetric linear systems in quantum reactive scattering

The Journal of Chemical Physics ◽

10.1063/1.470627 ◽

1995 ◽

Vol 103 (12) ◽

pp. 4914-4919 ◽

Cited By ~ 20

Author(s):

Hans O. Karlsson

Keyword(s):

Linear Systems ◽

Reactive Scattering ◽

Complex Symmetric Linear Systems ◽

Complex Symmetric ◽

Residual Algorithm ◽

Minimal Residual ◽

Quantum Reactive Scattering

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Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations

The Journal of Chemical Physics ◽

10.1063/1.463402 ◽

1992 ◽

Vol 97 (11) ◽

pp. 8322-8333 ◽

Cited By ~ 11

Author(s):

David C. Chatfield ◽

Melissa S. Reeves ◽

Donald G. Truhlar ◽

Csilla Duneczky ◽

David W. Schwenke

Keyword(s):

Iterative Solution ◽

Quantum Mechanical ◽

Reactive Scattering ◽

Residual Algorithm ◽

Minimal Residual

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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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Iterative Solution of Systems of Linear Equations in Microwave Circuits Using a Block Quasi-Minimal Residual Algorithm

Lecture Notes in Computational Science and Engineering - Scientific Computing in Electrical Engineering ◽

10.1007/978-3-642-56470-3_34 ◽

2001 ◽

pp. 325-333 ◽

Cited By ~ 1

Author(s):

R. Schlundt ◽

G. Hebermehl ◽

F.-K. Hübner ◽

W. Heinrich ◽

H. Zscheile

Keyword(s):

Linear Equations ◽

Iterative Solution ◽

Microwave Circuits ◽

Systems Of Linear Equations ◽

Residual Algorithm ◽

Minimal Residual

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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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Minimal residual algorithm and matrix-vector information

Computers & Mathematics with Applications ◽

10.1016/0898-1221(96)00125-3 ◽

1996 ◽

Vol 32 (4) ◽

pp. 57-63

Author(s):

G. Manzini ◽

L. Margara

Keyword(s):

Vector Information ◽

Residual Algorithm ◽

Matrix Vector ◽

Minimal Residual

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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

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Reduced dimensionality theory of quantum reactive scattering

The Journal of Physical Chemistry ◽

10.1021/j100166a014 ◽

1991 ◽

Vol 95 (13) ◽

pp. 4960-4968 ◽

Cited By ~ 330

Author(s):

Joel M. Bowman

Keyword(s):

Reactive Scattering ◽

Reduced Dimensionality ◽

Dimensionality Theory ◽

Quantum Reactive Scattering

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Progress of basis optimization techniques in variational calculation of quantum reactive scattering

The Journal of Chemical Physics ◽

10.1063/1.460442 ◽

1991 ◽

Vol 94 (9) ◽

pp. 6047-6054 ◽

Cited By ~ 31

Author(s):

John Z. H. Zhang

Keyword(s):

Variational Calculation ◽

Optimization Techniques ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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Preconditioned complex generalized minimal residual algorithm for dense algebraic variational equations in quantum reactive scattering

The quasi‐minimal residual algorithm applied to complex symmetric linear systems in quantum reactive scattering

Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations

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′)

Iterative Solution of Systems of Linear Equations in Microwave Circuits Using a Block Quasi-Minimal Residual Algorithm

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

Minimal residual algorithm and matrix-vector information

Non-adiabatic quantum reactive scattering in hyperspherical coordinates

Reduced dimensionality theory of quantum reactive scattering

Progress of basis optimization techniques in variational calculation of quantum reactive scattering

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