Concepedia
Journal of Photochemistry and Photobiology B Biology · 2017 · 27 citations · 51 references
Excited State PropertyPhysicsOptical PropertiesNatural SciencesQuantum ChemistryChemistryAb Initio ToolsElectronic Excited StateThermally Activated Delayed FluorescencePhotophysical PropertyLarge Stokes Shift
51
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations
Electron Density, Gradient Expansions, Engineering +14
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.4K citations
Engineering, Physics, Natural Sciences +6
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
Ansgar Schäfer, Christian Huber, Reinhart Ahlrichs · The Journal of Chemical Physics · 1994 · 9K citations
Engineering, Physics, Theoretical Inorganic Chemistry +13
Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
Rüdiger Bauernschmitt, Reinhart Ahlrichs · Chemical Physics Letters · 1996 · 5.7K citations
Quantum Dynamic, Quantum Science, Excited State Property +13