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physics.chem-ph2019
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
Hugh G. A. Burton, Alex J. W. Thom
A balanced description of ground and excited states is essential for the description of many chemical processes. However, few methods can handle cases where static correlation is p…
physics.chem-ph2019★ 8 cited
-Symmetry in Hartree-Fock Theory
Hugh G. A. Burton, Alex J. W. Thom, Pierre-François Loos
-symmetry --- invariance with respect to combined space reflection and time reversal --- provides a weaker condition than (Dirac) Hermitic…