Validation of trajectory surface hopping methods against accurate quantum mechanical dynamics and semiclassical analysis of electronic-to-vibrational energy transfer

Maria S. Topaler; Michael D. Hack; Thomas C. Allison; Yi-Ping Liu; Steven L. Mielke; David W. Schwenke; Donald G. Truhlar

doi:10.1063/1.473931

Validation of trajectory surface hopping methods against accurate quantum mechanical dynamics and semiclassical analysis of electronic-to-vibrational energy transfer

The Journal of Chemical Physics ◽

10.1063/1.473931 ◽

1997 ◽

Vol 106 (21) ◽

pp. 8699-8709 ◽

Cited By ~ 46

Author(s):

Maria S. Topaler ◽

Michael D. Hack ◽

Thomas C. Allison ◽

Yi-Ping Liu ◽

Steven L. Mielke ◽

...

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Vibrational Energy Transfer ◽

Semiclassical Analysis ◽

Surface Hopping ◽

Mechanical Dynamics

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A quantum mechanical investigation of vibrational energy transfer in O(3P) + CO2 collisions

Chemical Physics Letters ◽

10.1016/0009-2614(82)85007-0 ◽

1982 ◽

Vol 88 (6) ◽

pp. 553-558 ◽

Cited By ~ 18

Author(s):

Nancy Mullaney Harvey

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Vibrational Energy Transfer ◽

Mechanical Investigation

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Exact Quantum‐Mechanical Calculation of Vibrational Energy Transfer to an Oscillator by Collision with a Particle

The Journal of Chemical Physics ◽

10.1063/1.1668219 ◽

1968 ◽

Vol 48 (11) ◽

pp. 5287-5288 ◽

Cited By ~ 7

Author(s):

Donald Rapp ◽

Thomas Kassal

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical Calculation ◽

Quantum Mechanical ◽

Vibrational Energy Transfer ◽

Mechanical Calculation ◽

Exact Quantum

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Semiclassical analysis of vibrational energy transfer in HF–HF and isotopic systems. I. V‐T/R and V‐V rate constants for the lowest transitions in HF–HF

The Journal of Chemical Physics ◽

10.1063/1.463015 ◽

1992 ◽

Vol 97 (5) ◽

pp. 3274-3281 ◽

Cited By ~ 8

Author(s):

G. D. Billing ◽

V. A. Zenevich ◽

W. Lindinger

Keyword(s):

Energy Transfer ◽

Rate Constants ◽

Vibrational Energy ◽

Vibrational Energy Transfer ◽

Semiclassical Analysis

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Basis-set effects in quantum-mechanical calculations of translational-to-vibrational energy transfer in O(3P) + CO2 collisions

Chemical Physics ◽

10.1016/0301-0104(84)85139-3 ◽

1984 ◽

Vol 87 (1) ◽

pp. 63-71 ◽

Cited By ~ 8

Author(s):

Bruce C. Garrett

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Basis Set ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Vibrational Energy Transfer

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A quantum mechanical investigation of vibrational energy transfer in O(3P)+H2O collisions

The Journal of Chemical Physics ◽

10.1063/1.450807 ◽

1986 ◽

Vol 84 (1) ◽

pp. 176-180 ◽

Cited By ~ 17

Author(s):

B. R. Johnson

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Vibrational Energy Transfer ◽

Mechanical Investigation

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A comparison of exact classical and quantum mechanical calculations of vibrational energy transfer. II. The effect of long‐lived collision complexes

The Journal of Chemical Physics ◽

10.1063/1.434799 ◽

1977 ◽

Vol 67 (12) ◽

pp. 5923-5929 ◽

Cited By ~ 14

Author(s):

Robert J. Gordon

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Vibrational Energy Transfer ◽

Collision Complexes

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A comparison of classical and quantum mechanical calculations of vibrational energy transfer. III. Use of the forced quantum oscillator and moment methods for quantization of product state distributions

The Journal of Chemical Physics ◽

10.1063/1.438256 ◽

1979 ◽

Vol 71 (11) ◽

pp. 4720-4725 ◽

Cited By ~ 12

Author(s):

Robert J. Gordon

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Quantum Oscillator ◽

Quantum Mechanical Calculations ◽

Product State ◽

Vibrational Energy Transfer ◽

Moment Methods

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Erratum: A comparison of exact classical and quantum mechanical calculations of vibrational energy transfer. II. The effect of long‐lived collision complexes

The Journal of Chemical Physics ◽

10.1063/1.436338 ◽

1978 ◽

Vol 68 (11) ◽

pp. 5304-5304 ◽

Cited By ~ 2

Author(s):

Robert J. Gordon

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Vibrational Energy Transfer ◽

Collision Complexes

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Quantum mechanical study of vibrational energy transfer in Ar–O3 collisions: Influence of symmetry

The Journal of Chemical Physics ◽

10.1063/1.3126247 ◽

2009 ◽

Vol 130 (17) ◽

pp. 174311 ◽

Cited By ~ 13

Author(s):

M. V. Ivanov ◽

S. Yu. Grebenshchikov ◽

R. Schinke

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Vibrational Energy Transfer ◽

Mechanical Study ◽

Quantum Mechanical Study

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A comparison of exact classical and quantum mechanical calculations of vibrational energy transfer

The Journal of Chemical Physics ◽

10.1063/1.432971 ◽

1976 ◽

Vol 65 (11) ◽

pp. 4945-4957 ◽

Cited By ~ 34

Author(s):

Robert J. Gordon

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Vibrational Energy Transfer

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