Publication | Open Access

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

Computational BiophysicsEngineeringPhysicsTight-binding Td-dftNatural SciencesPhysical ChemistryAb-initio MethodMolecular ComputingComputational ChemistryMolecular MechanicChemistryQuantum ChemistryMolecular DynamicsBiophysicsMolecular DesignSoftware Package