Solvatochromic benzo[h] coumarins: Synthesis, solvatochromism, NLO and DFT study

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 · 100.1K citations

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A new mixing of Hartree–Fock and local density-functional theories

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A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

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Natural Sciences, Chemistry, Physics +12

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

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Natural Sciences, Chemistry, Physics +17

Nonlinear Dielectric Polarization in Optical Media

D. A. Kleinman · Physical Review · 1962 · 2.4K citations

Natural Sciences, Physics, Crystal Structure +15