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DFTB

Review

Advances in Nonadiabatic Mixed Quantum-Classical Dynamics

Paper reviews the last ten years of developments in nonadiabatic dynamics.

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By Mario Barbatti, 7 yearsMay 17, 2018 ago
Methods and Software

Surface Hopping with TD-DFTB

Interface between Newton-X, DFTB+, and TheoDORE enables nonadiabatic dynamics at nanoscale.

(more…)

By Mario Barbatti, 7 yearsDecember 2, 2017 ago

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