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Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals

Hoyvika, IM; Olsenb, J; Jorgensenb, P

Hoyvika, IM (reprint author), Norwegian Univ Sci & Technol, Dept Chem, Trondheim, Norway.

MOLECULAR PHYSICS, 2017; 115 (1-2): 16

Abstract

When a set of orthogonal orbitals is localised using orthogonal transformations, the orbital metric is conserved as the unit matrix during the localis......

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