The top documents tagged [gradient approximation]

PRACTICAL OPTIMIZATION OF SIMULATIONS: COMPUTATION AND TOOLS
Documents PRACTICAL OPTIMIZATION OF SIMULATIONS: COMPUTATION AND TOOLS

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Hydrogen Related Defects (results)
Documents 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-
Documents [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
Documents 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
Documents 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
Documents 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
Documents 1 Lecture 11: Unsteady Conduction Error Analysis

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From APW to LAPW to (L)APW+lo
Documents From APW to LAPW to (L)APW+lo

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Fast Marching on Triangulated Domains
Documents 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
Documents 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
Documents 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
Documents Fast Marching on Triangulated Domains Ron Kimmel ron Computer Science Department Geometric Image Processing Lab Technion-Israel

232 views