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Atomic and Molecular Calculations of Physical and Chemical Properties

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The Hartree-Fock Method

Ramon Gabriel Teixeira Rosa∗ 

, Instituto de F´ısica de Sao Carlos, Universidade de S ˜ ao Paulo. ˜


Abstract

T he Hartree-Fock Method plays an important role in atomic physics and quantum chemistry. The present work aims to briefly discuss the basic concepts of the Hartree-Fock theory and its basic principles for ab initio calculations of electronic orbitals of atoms and molecules within the BornOppenheimer approximation.

To download the article click on the link below:

http://www.ifsc.usp.br/~strontium/Teaching/Material2014-1%20SFI5774%20Mecanicaquantica/Seminario%20-%20Ramon%20-%20O%20metodo%20de%20Hartree-Fock.pdf

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