Theoretical Chemistry Accounts · 2003 · 569 citations · 0 references
Natural SciencesChemistryPhysicsComputational ChemistryMolecular PhysicsQuantum MechanicsComputational Quantum MechanicsDensity Functional TheoryHartree-fock TheoryMolecular DynamicsMolecular Quantum MechanicsQuantum DynamicsDensity Matrix FormulationDensity OperatorsMolecular Quantum StatesOperatorsQuantum Molecular DynamicsQuantum Wavepacket DynamicsTime-dependent Schrödinger Equation Propagation