Use of the discrete variable representation in the infinite order sudden approximation for reactive scattering

Robert M. Whitnell; J. C. Light

doi:10.1063/1.452151

Use of the discrete variable representation in the infinite order sudden approximation for reactive scattering

The Journal of Chemical Physics ◽

10.1063/1.452151 ◽

1987 ◽

Vol 86 (4) ◽

pp. 2007-2019 ◽

Cited By ~ 9

Author(s):

Robert M. Whitnell ◽

J. C. Light

Keyword(s):

Infinite Order ◽

Reactive Scattering ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Sudden Approximation ◽

Variable Representation

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An Infinite Order Discrete Variable Representation of an Effective Mass Hamiltonian: Application to Exciton Wave Functions in Quantum Confined Nanostructures

Journal of Chemical Theory and Computation ◽

10.1021/ct500280j ◽

2014 ◽

Vol 10 (8) ◽

pp. 3409-3416 ◽

Cited By ~ 3

Author(s):

Alexey L. Kaledin ◽

Tianquan Lian ◽

Craig L. Hill ◽

Djamaladdin G. Musaev

Keyword(s):

Effective Mass ◽

Infinite Order ◽

Wave Functions ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Quantum Confined ◽

Variable Representation

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Reactive scattering within a time-dependent discrete variable representation

International Journal of Quantum Chemistry ◽

10.1002/qua.1402 ◽

2001 ◽

Vol 84 (5) ◽

pp. 467-478 ◽

Cited By ~ 3

Author(s):

G. D. Billing

Keyword(s):

Time Dependent ◽

Reactive Scattering ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Variable Representation

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Combining the discrete variable representation with the S‐matrix Kohn method for quantum reactive scattering

The Journal of Chemical Physics ◽

10.1063/1.465450 ◽

1993 ◽

Vol 99 (12) ◽

pp. 9681-9696 ◽

Cited By ~ 106

Author(s):

Gerrit C. Groenenboom ◽

Daniel T. Colbert

Keyword(s):

Reactive Scattering ◽

Discrete Variable ◽

Discrete Variable Representation ◽

S Matrix ◽

Variable Representation ◽

Quantum Reactive Scattering

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Toeplitz matrices within discrete variable representation formulation: Application to collinear reactive scattering problems

The Journal of Chemical Physics ◽

10.1063/1.470944 ◽

1996 ◽

Vol 104 (5) ◽

pp. 1886-1892 ◽

Cited By ~ 3

Author(s):

Eli Eisenberg ◽

David M. Charutz ◽

Shlomo Ron ◽

Michael Baer

Keyword(s):

Toeplitz Matrices ◽

Reactive Scattering ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Scattering Problems ◽

Variable Representation

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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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A novel discrete variable representation for quantum mechanical reactive scattering via the S‐matrix Kohn method

The Journal of Chemical Physics ◽

10.1063/1.462100 ◽

1992 ◽

Vol 96 (3) ◽

pp. 1982-1991 ◽

Cited By ~ 1225

Author(s):

Daniel T. Colbert ◽

William H. Miller

Keyword(s):

Quantum Mechanical ◽

Reactive Scattering ◽

Discrete Variable ◽

Discrete Variable Representation ◽

S Matrix ◽

Variable Representation

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Ab initioapproach to multidimensional quantum scattering based on an infinite-order discrete-variable representation

Physical Review A ◽

10.1103/physreva.58.r2641 ◽

1998 ◽

Vol 58 (4) ◽

pp. R2641-R2644

Author(s):

Nark Nyul Choi ◽

Min-Ho Lee ◽

Sung-Ho Suck Salk

Keyword(s):

Infinite Order ◽

Quantum Scattering ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Variable Representation

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A beyond Born–Oppenheimer treatment of C6H6+ radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation

The Journal of Chemical Physics ◽

10.1063/5.0040361 ◽

2021 ◽

Vol 154 (9) ◽

pp. 094306

Author(s):

Soumya Mukherjee ◽

Satyam Ravi ◽

Koushik Naskar ◽

Subhankar Sardar ◽

Satrajit Adhikari

Keyword(s):

Radical Cation ◽

Photoelectron Spectra ◽

Time Dependent ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Variable Representation

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A NONDIRECT PRODUCT DISCRETE VARIABLE REPRESENTATION-LIKE METHOD FOR CALCULATING VIBRATIONAL SPECTRA OF POLYATOMIC MOLECULES

Proceedings of the 73rd International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2018.mh04 ◽

2018 ◽

Author(s):

Emil Zak ◽

Tucker Carrington

Keyword(s):

Vibrational Spectra ◽

Polyatomic Molecules ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Variable Representation

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Using a nondirect product discrete variable representation for angular coordinates to compute vibrational levels of polyatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.2918498 ◽

2008 ◽

Vol 128 (19) ◽

pp. 194109 ◽

Cited By ~ 9

Author(s):

Xiao-Gang Wang ◽

Tucker Carrington

Keyword(s):

Polyatomic Molecules ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Vibrational Levels ◽

Angular Coordinates ◽

Variable Representation

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