Concepedia
Scientific Reports · 2014 · 76 citations · 53 references
Open access
53
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
Density-functional exchange-energy approximation with correct asymptotic behavior
Axel D. Becke · Physical review. A, General physics · 1988 · 52.9K citations
Localized Excited State, Engineering, Exchange Energies +17
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
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.4K citations
Physics, Modified Basis Sets, Natural Sciences +13
Design of Organic Molecules with Large Two-Photon Absorption Cross Sections
Marius A. Albotǎ, David Beljonne, Jean‐Luc Brédas et al. · Science · 1998 · 2.2K citations