High performance nonlinear optical materials with simple aromatic hydrocarbons

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Self-Consistent Equations Including Exchange and Correlation Effects

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Multiwfn: A multifunctional wavefunction analyzer

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The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

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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 · 14.8K citations

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