Systematic Approaches to Predictive Computational Chemistry using the Correlation Consistent Basis Sets
The development of the correlation consistent basis sets, cc-pVnZ (where n = D, T, Q, etc.) have allowed for the systematic elucidation of the intrinsic accuracy of ab initio quantum chemical methods. In density functional theory (DFT), where the cc-pVnZ basis sets are not necessarily optimal in the...
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| Format: | Others |
| Language: | English |
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University of North Texas
2009
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| Online Access: | https://digital.library.unt.edu/ark:/67531/metadc9920/ |