(Q57402238)

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Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations

article by Ahren W. Jasper & Donald Truhlar published February 2003 in Chemical Physics Letters

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Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations (English)

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Donald G. Truhlar

2

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author name string

Ahren W. Jasper

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1

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February 2003

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Chemical Physics Letters

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volume

369

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1-2

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page(s)

60-67

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cites work

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

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7 January 2021

What is the best semiclassical method for photochemical dynamics of systems with conical intersections?

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7 January 2021

Do Semiclassical Trajectory Theories Provide an Accurate Picture of Radiationless Decay for Systems with Accessible Surface Crossings?

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7 January 2021

The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations

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7 January 2021

Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions

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7 January 2021

Trajectory‐surface‐hopping study of Na(3p 2P) +H2 → Na(3s 2S)+H2(v′, j′, θ)

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7 January 2021

Conditions for the definition of a strictly diabatic electronic basis for molecular systems

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7 January 2021

Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics

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https://api.crossref.org/works/10.1016%2FS0009-2614%2802%2901990-5

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7 January 2021

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10.1016/S0009-2614(02)01990-5

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(Q57402238)

Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations

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