time-dependent density functional theory

GPTKB entity

Predicate	Object
gptkbp:instanceOf	gptkb:quantum_mechanical_theory
gptkbp:abbreviation	gptkb:TDDFT
gptkbp:appliesTo	solids electronic structure nanostructures molecules
gptkbp:basedOn	Runge-Gross theorem
gptkbp:citation	Runge, E.; Gross, E.K.U. (1984). Phys. Rev. Lett. 52, 997.
gptkbp:computational_method	linear response TDDFT real-time TDDFT
gptkbp:describes	time-dependent quantum systems
gptkbp:estimatedCost	many-body quantum systems
gptkbp:extendsTo	gptkb:density_functional_theory
gptkbp:field	gptkb:quantum_physics condensed matter physics theoretical chemistry
gptkbp:formedBy	gptkb:E.K.U._Gross E. Runge
gptkbp:introducedIn	1984
gptkbp:limitation	approximate exchange-correlation functionals charge-transfer excitations double excitations
gptkbp:mathematical_framework	gptkb:Kohn-Sham_equations
gptkbp:relatedTo	configuration interaction time-dependent Hartree-Fock
gptkbp:software	gptkb:lake gptkb:Q-Chem gptkb:NWChem gptkb:Gaussian gptkb:ORCA
gptkbp:usedFor	optical properties excited state calculations response properties
gptkbp:bfsParent	gptkb:E.K.U._Gross gptkb:time-dependent_Kohn-Sham_equations gptkb:ABINIT gptkb:Serghei_Bulgac gptkb:Angel_Rubio
gptkbp:bfsLayer	9
https://www.w3.org/2000/01/rdf-schema#label	time-dependent density functional theory