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CHEM 938: Density Functional Theory

CHEM 938: Density Functional Theory. Electron Correlation. January 19, 2010. Electron Correlation. based on the variation principle :. Hartree-Fock energy. real ground state energy. why is the Hartree-Fock energy too high?. Hartree-Fock method uses a single Slater determinant wavefunction.

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Fock energy - PowerPoint PPT Presentation

CHEM 938: Density Functional Theory