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cond-mat.mtrl-sci2014★ 3 cited
Extended scheme for the projection of material tensors of arbitrary symmetry onto a higher symmetry tensor
Miguel A. Caro
I propose a straightforward generalization of the projection scheme for elastic tensors introduced by Moakher and Norris [J. Elasticity 85, 215 (2006)] that takes into account also…
physics.comp-ph2014★ 105 cited
Orbital-Free Density Functional Theory Implementation with the Projector Augmented-Wave Method
J. Lehtomäki, I. Makkonen, M. A. Caro +2
We present a computational scheme for orbital-free density functional theory (OFDFT) that simultaneously provides access to all-electron values and preserves the OFDFT linear scali…