(Q57402279)

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

article by Ahren W. Jasper et al published 22 July 2001 in Journal of Chemical Physics

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

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Donald G. Truhlar

3

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author name string

Ahren W. Jasper

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1

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Michael D. Hack

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2

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English

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publication date

22 July 2001

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Journal of Chemical Physics

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volume

115

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issue

4

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1804-1816

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NONADIABATICTRANSITIONS: What We Learned from Old Masters and How Much We Owe Them

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21 January 2018

Quantum photochemistry. Accurate quantum scattering calculations for an electronically nonadiabatic reaction

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21 January 2018

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

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21 January 2018

Test of Trajectory Surface Hopping Against Accurate Quantum Dynamics for an Electronically Nonadiabatic Chemical Reaction

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

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Are Semiclassical Methods Accurate for Electronically Nonadiabatic Transitions between Weakly Coupled Potential Energy Surfaces?

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

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

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21 January 2018

Electronically nonadiabatic trajectories: Continuous surface switching II

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

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The effect of a conical intersection on cross sections for collision‐induced dissociation

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Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

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Variational reactive scattering calculations: computational optimization strategies

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Algebraic variational and propagation formalisms for quantal dynamics calculations of electronic‐to‐vibrational, rotational energy transfer and application to the quenching of the 3pstate of sodium by hydrogen molecules

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Quantum mechanical algebraic variational methods for inelastic and reactive molecular collisions

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Vibrational energy transfer and an improved information-theoretic moment method. Comparison of the accuracy of several methods for determining state-to-state transition probabilities from quasiclassical trajectories

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21 January 2018

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10.1063/1.1377891

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(Q57402279)

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

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