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In search of the best DFT functional for dealing wi th organic anionic species
(Royal Society of Chemistry, 2017-01)
Quantum chemical computational methods are thought to have problems in dealing with unstable organic anions. This work assesses the ability of different Density Functional Theory (DFT) functionals to reproduce the electron ...
Entrelazamiento y disipación en arreglos de puntos cuánticos
(CICESE, 2007)
Optimized solution procedure of the G-particle-hole hypervirial equation for multiplets: Application to doublet and triplet states
(American Chemical Society, 2011-01)
Highly accurate descriptions of the correlated electronic structure of atoms and molecules in singlet states have recently been directly obtained within the framework of the G-particle-hole hypervirial (GHV) equation method, ...
Bi-estabilidade óptica & condensação de Bose-Einstein de polaritons
(Universidade Federal de Minas GeraisUFMG, 2008-05-16)
Optical bistability e®ects (OB) are intrinsically related to the gain media non-linearities. In microcavities, this behavior is due to Kerr effect proportionate by polariton number, generated resonantly in strong -coupling ...