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Quasiparticle Electronic structure of Copper in the GW approximation
Andrea Marini, Giovanni Onida, Rodolfo Del Sole
We show that the results of photoemission and inverse photoemission experiments on bulk copper can be quantitatively described within band-structure theory, with no evidence of eff…
Excitonic effects in solids described by time-dependent density functional theory
Lucia Reining, Valerio Olevano, Angel Rubio +1
Starting from the many-body Bethe-Salpeter equation we derive an exchange-correlation kernel that reproduces excitonic effects in bulk materials within time-dependent dens…
Plane-waves DFT-LDA calculation of the electronic structure and absorption spectrum of Copper
Andrea Marini, Giovanni Onida, Rodolfo Del Sole
We present an accurate, first-principles study of the electronic structure and absorption spectrum of bulk copper within Density Functional Theory in the Local Density Approximatio…
Optical Properties of BN in the cubic and in the layered hexagonal phases
Giancarlo Cappellini, Guido Satta, Maurizia Palummo +1
Linear optical functions of cubic and hexagonal BN have been studied within first principles DFT-LDA theory. Calculated energy-loss functions compare well with experiments and prev…