Application and development of quantum chemical methods. Density functional theory and valence bond theory
This thesis deals with two disjoint subdiciplines of quantum chemistry. One isthe most used electronic structure method today, density functional theory(DFT), and the other one of the least used electronic structure methods,valence bond theory (VB). The work on DFT is based on previous development...
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| Format: | Others |
| Language: | English |
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KTH, Teoretisk kemi
2010
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-25033 http://nbn-resolving.de/urn:isbn:978-91-7415-633-1 |