Fock Matrix Construction for Large Systems
This licentiate thesis deals with quantum chemistry methods for large systems. In particular, the thesis focuses on the efficient construction of the Coulomb and exchange matrices which are important parts of the Fock matrix in Hartree--Fock calculations.The methods described are also applicable in...
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| Format: | Others |
| Language: | English |
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KTH, Skolan för bioteknologi (BIO)
2006
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-4247 http://nbn-resolving.de/urn:isbn:978-91-7178-535-0 |