Electronic structure according to the orbital approximation and the Hartree-Fock theory with electron correlation methods
1University of Oulu, Faculty of Science, Physics
|Online Access:||PDF Full Text (PDF, 0.6 MB)|
|Persistent link:|| http://urn.fi/URN:NBN:fi:oulu-201611113017
|Publish Date:|| 2016-11-14
|Thesis type:||Bachelor's thesis
Hartree-Fock theory, a computational method to solve electronic structure of molecules, is reviewed in this thesis. The emphasis is on spotlighting the physical reasoning behind the assumptions of the Hartree-Fock theory. Also, three post-Hartree-Fock electron correlation methods are introduced, configuration interaction, coupled cluster, and Møller-Plesset theory.
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