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Localized orbitals for intermolecular interactions
We study in this thesis intermolecular interactions through a localized orbitals point of view. This concerns on one hand the intermolecular interactions generated by... -
Relever le défi de la résolution de l'équation de Schrödinger
National audience -
Development of new hybrid methods in density functional theory by linear sepa...
This thesis draws together methodological contributions to the hybrid methods in density functional theory (DFT). The combination of DFT and several wave function...
