Introduction to Electronic Structure Theory
نویسنده
چکیده
Electronic Structure Theory describes the motions of electrons in atoms or molecules. Generally this is done in the context of the Born-Oppenheimer Approximation, which says that electrons are so much lighter (and therefore faster) than nuclei that they will find their optimal distribution for any given nuclear configuration. The electronic energy at each nuclear configuration is the potential energy that the nuclei feel, so solving the electronic problem for a range of nuclear configurations gives the potential energy surface.
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