Browsing NTNU Open by Author "Dundas, Karen Oda Hjorth"
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Density-Based Formulation of Multi-Level Hartree-Fock Theory
Dundas, Karen Oda Hjorth (Master thesis, 2016)A scheme for multi-level (embedded) Hartree-Fock theory is developed. The goal is to reduce computational costs by treating different parts of an electronic system with different degrees of accuracy. In this thesis, a ...