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cond-mat.other2004★ 219 cited
Describing static correlation in bond dissociation by Kohn-Sham density functional theory
M. Fuchs, Y. -M. Niquet, X. Gonze +1
We show that density functional theory within the RPA (random phase approximation for the exchange-correlation energy) provides a correct description of bond dissociation in H…
cond-mat.mtrl-sci2004
Non-linear optical susceptibilities, Raman efficiencies and electrooptic tensors from first-principles density functional perturbation theory
M. Veithen, X. Gonze, Ph. Ghosez
The non-linear response of infinite periodic solids to homogenous electric fields and collective atomic displacements is discussed in the framework of density functional perturbati…