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

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The influence of polarization functions on molecular orbital hydrogenation energies

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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

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An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

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