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cond-mat.mtrl-sci2018
Space partitioning of exchange-correlation functionals with the projector augmented-wave method
H. Levämäki, M. Kuisma, K. Kokko
We implement a Becke fuzzy cells type space partitioning scheme for the purposes of exchange-correlation within the GPAW projector augmented-wave method based density functional th…
cond-mat.mtrl-sci2015★ 210 cited
Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations
Mikael Kuisma, Arto Sakko, Tuomas P. Rossi +4
We observe using ab initio methods that localized surface plasmon resonances in icosahedral silver nanoparticles enter the asymptotic region already between diameters of 1 and 2 nm…