Electronic structure according to the orbital approximation and the Hartree-Fock theory with electron correlation methods
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, con...
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| Format: | Others |
| Language: | English |
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University of Oulu
2016
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| Online Access: | http://urn.fi/URN:NBN:fi:oulu-201611113017 http://nbn-resolving.de/urn:nbn:fi:oulu-201611113017 |