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Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation

Ignacio Fdez Galván, Mickaël G Delcey1,2, Thomas Bondo Pedersen3

  • 1Chemical Sciences Division, Lawrence Berkeley National Laboratory , Berkeley, California 94720, United States.

Journal of Chemical Theory and Computation
|June 22, 2016
PubMed

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