article Open AccessTop 1% cited
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
Computer Physics Communications · 2005 · Vol. 167(2) · pp. 103–128
Joost VandeVondele✉(University of Cambridge)Matthias Krack(ETH Zurich)Fawzi Mohamed(ETH Zurich)Michele Parrinello(ETH Zurich)Thomas Chassaing(University of Zurich)Jürg Hutter(University of Zurich)
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesQuantum, superfluid, helium dynamicsGaussianStatistical physicsPlane wavePlane (geometry)Computational physicsPhysicsMathematicsGeometryQuantum mechanics
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Self-consistent order-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>density-functional calculations for very large systems
Physical review. B, Condensed matter · 1996 · 2,613 citations
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