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... Ausführliche Beschreibung

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Format: Elektronische Hochschulschrift
veröffentlicht: Chemnitz : Universitätsbibliothek Chemnitz, 2016.
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