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cond-mat.mtrl-sci2004★ 58 cited
Calculation of valence electron momentum densities using the projector augmented-wave method
I. Makkonen, M. Hakala, M. J. Puska
We present valence electron Compton profiles calculated within the density-functional theory using the all-electron full-potential projector augmented-wave method (PAW). Our result…
cond-mat.mtrl-sci2001
A novel multigrid method for electronic structure calculations
M. Heiskanen, T. Torsti, M. J. Puska +1
A general real-space multigrid algorithm for the self-consistent solution of the Kohn-Sham equations appearing in the state-of-the-art electronic-structure calculations is describe…