Incremental Scheme for Open-Shell Systems
In this thesis, the implementation of the incremental scheme for open-shell systems with unrestricted Hartree-Fock reference wave functions is described. The implemented scheme is tested within robustness and performance with respect to the accuracy in the energy and the computation times. New appr...
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| Format: | Doctoral Thesis |
| Language: | English |
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Universitätsbibliothek Chemnitz
2016
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| Online Access: | http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-197726 http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-197726 http://www.qucosa.de/fileadmin/data/qucosa/documents/19772/Dissertation_Tony_Anacker.pdf http://www.qucosa.de/fileadmin/data/qucosa/documents/19772/signatur.txt.asc |