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Electronic structure according to the orbital approximation and the Hartree-Fock theory with electron correlation methods |
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| Author: | Abuzaid, Nuha1 |
| Organizations: |
1University of Oulu, Faculty of Science, Physics |
| Format: | ebook |
| Version: | published version |
| Access: | open |
| Online Access: | PDF Full Text (PDF, 0.6 MB) |
| Pages: | 40 |
| Persistent link: | http://urn.fi/URN:NBN:fi:oulu-201611113017 |
| Language: | English |
| Published: |
Oulu :
N. Abuzaid,
2016
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| Publish Date: | 2016-11-14 |
| Thesis type: | Bachelor's thesis |
| Description: |
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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| Subjects: | |
| Copyright information: |
© Nuha Abuzaid, 2016. This publication is copyrighted. You may download, display and print it for your own personal use. Commercial use is prohibited. |