The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

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The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年學術文章

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2016年學術文章

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The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

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The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

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The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

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The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

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The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

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The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

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P1476

The best of both Reps-Diabatized Gaussians on adiabatic surfaces.

@en

P2093

Garrett A Meek

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P2860

Fitting coupled potential energy surfaces for large systems: method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data.

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Using the computer to understand the chemistry of conical intersections.

Flexible Surface Hopping Approach to Model the Crossover from Hopping to Band-like Transport in Organic Crystals.

Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.

A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets.

Role of Rydberg states in the photochemical dynamics of ethylene.

A scheme to interpolate potential energy surfaces and derivative coupling vectors without performing a global diabatization.

P304

184103

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P31

scholarly article

P356

10.1063/1.4966967

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P407

English

P433

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P478

145

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P50

Benjamin G Levine

P577

2016-11-01T00:00:00Z

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P698

27846679

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