Quantum Chemistry 9.11 - Post Hartree-Fock Methods

Описание: Short lecture on post-Hartree-Fock methods for atomic energies.

The accuracy of an electronic structure calculation depends on two factors: the size of the atomic orbital basis set, and the accuracy of the electron repulsion method. Basis sets lie on a continuum from the minimal basis set to the complete basis set. Electron repulsion methods lie on a continuum from simplex to complex started at Hartree-Fock and ending at full Configuration Interaction.

Notes Slide: http://i.imgur.com/nKgRdV3.png

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