Applications of Single Reference Methods to Multi-Reference Problems
Density functional theory is an efficient and useful method of solving single-reference computational chemistry problems, however it struggles with multi-reference systems. Modifications have been developed in order to improve the capabilities of density functional theory. In this work, density func...
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| Format: | Others |
| Language: | English |
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University of North Texas
2015
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| Online Access: | https://digital.library.unt.edu/ark:/67531/metadc801919/ |