Extending the Reach of Accurate Wavefunction Methods
Multiconfigurational quantum chemistry methods, and especially the multiconfigurational self-consistent field (MCSCF) and multireference perturbation theory (MRPT2), are powerful tools, particularly suited to the accurate modeling of photochemical processes and transition metal catalysis. However, t...
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| Format: | Doctoral Thesis |
| Language: | English |
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Uppsala universitet, Teoretisk kemi
2015
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-243573 http://nbn-resolving.de/urn:isbn:978-91-554-9168-0 |