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The top documents tagged [gradient approximation]
PRACTICAL OPTIMIZATION OF SIMULATIONS: COMPUTATION AND TOOLS
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Hydrogen Related Defects (results)
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[doi 10.1146%2Fannurev-physchem-040214-121958] K. Golibrzuch; N. Bartels; D. J. Auerbach; A. M. Wodtke -- The Dynamics of Molecular Interactions and Chemical Reactions at Metal Surfaces-
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Jahn–Teller Distortion in Clusters and Lithiated Manganese Oxides R. Prasad Physics Department, IIT Kanpur Outline 1.Jahn–Teller Effect 2.Clusters 3.Lithiated
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Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method Karlheinz Schwarz Institute of Materials
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Hongqing Shi and Catherine Stampfl School of Physics, The University of Sydney, Sydney, Australia First-principles Investigation of the Stability of Surface
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1 Lecture 11: Unsteady Conduction Error Analysis
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From APW to LAPW to (L)APW+lo
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Fast Marching on Triangulated Domains
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From APW to LAPW to (L)APW+lo Karlheinz Schwarz Institute for Material Chemistry TU Wien Vienna University of Technology
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Silicon fullerenes Vijay Kumar 1,2 and Yoshiyuki Kawazoe 1 1 Institute for Materials Research Tohoku University, Sendai & 2 VKF, Chennai In Collaboration
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Fast Marching on Triangulated Domains Ron Kimmel ron Computer Science Department Geometric Image Processing Lab Technion-Israel
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