Electronic Structure: Calculations I
ORAL · B39 ·
Presentations
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Acceleration of Hartree-Fock Exchange Computations using Recursive Subspace Bisection
ORAL
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Authors
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Ivan Duchemin
- Department of Applied Science, University of California Davis, Davis CA 95616
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Francois Gygi
- Department of Computer Science, University of California Davis, Davis CA 95616
- Department of Applied Science and Department of Computer Science, University of California, Davis
- Department of Computer Science, University of California, Davis
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A Discontinuous Galerkin Framework for Electronic Structure Calculations
ORAL
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Authors
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Andrew Baczewski
- Michigan State University
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Balasubramaniam Shanker
- Michigan State University
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Subhendra Mahanti
- Michigan State University
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Benjamin Levine
- Michigan State University
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New method of optimizing the Jastrow factor for solids with the transcorrelated method
ORAL
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Authors
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Masayuki Ochi
- Department of Physics, The University of Tokyo
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Shinji Tsuneyuki
- Department of Physics, The University of Tokyo, ISSP, The University of Tokyo
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Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework
ORAL
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Authors
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Lin Lin
- Lawrence Berkeley National Laboratory
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Jianfeng Lu
- Courant Institute, New York University
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Lexing Ying
- The University of Texas at Austin
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Weinan E
- Peking University, Princeton University
- Department of Mathematics and Program in Applied and Computational Mathematics, Princeton University
- Princeton University
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Retrofit of the HSE density functional
ORAL
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Authors
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Jonathan Moussa
- Sandia National Labs
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Peter Schultz
- Sandia National Laboratories, Albuquerque, NM
- Sandia National Labs
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James Chelikowsky
- The University of Texas at Austin
- University of Texas
- University of Texas at Austin
- Institute for Computational Engineering and Sciences, The University of Texas at Austin
- Institute for Computational Engineering and Sciences and Departments of Chemical Engineering and Physics, The University of Texas at Austin
- UT Austin
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Projector Augmented Wave formulation of orbital-dependent exchange-correlation functionals
ORAL
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Authors
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Xiao Xu
- Wake Forest University
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N.A.W. Holzwarth
- Wake Forest University
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Solution of the Bethe-Salpeter equation without empty electronic states: Applications to solids, nanostructures and molecules
ORAL
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Authors
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Dario Rocca
- Department of Chemistry, University of California, Davis
- UC Davis
- University of California, Davis
- Department Of Chemistry, University of California, Davis
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Yuan Ping
- Department of Chemistry, University of California, Davis
- UC Davis
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Deyu Lu
- Center for Functional Nanomaterials, Brookhaven National Laboratory
- Brookhaven National Laboratory
- Brookhaven National Lab, Upton, NY
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Giulia Galli
- University of California, Davis
- Department of Chemistry and Department of Physics, University of California, Davis
- Department of Chemistry, University of California, Davis; Department of Physics, University of California, Davis
- Dep. of Chemistry, UC Davis
- Department of Chemistry, University of California, Davis and Department of Physics, University of California, Davis
- UC Davis
- Department Of Chemistry, Department Of Physics, University of California, Davis
- Department of Chemistry, University of California, Davis 95616
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Iterative diagonalization of non-Hermitian eigenproblems in time-dependent density-functional and many-body perturbation theory
ORAL
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Authors
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Zhaojun Bai
- UC Davis
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Dario Rocca
- Department of Chemistry, University of California, Davis
- UC Davis
- University of California, Davis
- Department Of Chemistry, University of California, Davis
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Ren-Cang Li
- UT Arlington
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Giulia Galli
- University of California, Davis
- Department of Chemistry and Department of Physics, University of California, Davis
- Department of Chemistry, University of California, Davis; Department of Physics, University of California, Davis
- Dep. of Chemistry, UC Davis
- Department of Chemistry, University of California, Davis and Department of Physics, University of California, Davis
- UC Davis
- Department Of Chemistry, Department Of Physics, University of California, Davis
- Department of Chemistry, University of California, Davis 95616
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New \emph{ab initio} approaches for calculating the microscopic electron-density response matrix
ORAL
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Authors
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Kathleen Schwarz
- Cornell University Department of Chemistry
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Jeehye Lee
- Cornell University, Department of Physics
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T.A. Arias
- Cornell University, Department of Physics
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Cluster expansion of the electron-density response function: GW+BSE with molecular environments
ORAL
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Authors
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Jeehye Lee
- Cornell University, Department of Physics
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Tom\'as Arias
- Cornell University, Department of Physics
- Department of Physics, Cornell University
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Unified description of ground and excited states of finite systems: the self-consistent \textit{GW} approach
ORAL
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Authors
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Fabio Caruso
- Fritz Haber Institute, Berlin, Germany
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Patrick Rinke
- Fritz Haber Institute, Berlin, Germany
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Xinguo Ren
- Fritz Haber Institute, Berlin, Germany
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Angel Rubio
- Universidad del Pais Vasco, San Sebastian, Spain
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Matthias Scheffler
- Fritz Haber Institute, Berlin, Germany
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Stress formulation in the all-electron full-potential linearized augmented plane wave method
ORAL
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Authors
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Naoyuki Nagasako
- Toyota Central R\&D labs., Inc.
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Tamio Oguchi
- ISIR, Osaka University
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Real Space DFT by Locally Optimal Block Preconditioned Conjugate Gradient Method
ORAL
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Authors
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Vincent Michaud
- McGill University
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Hong Guo
- Physics department of Mcgill University
- McGill University
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Bridging density-functional and many-body perturbation theory: orbital-density dependence in electronic-structure functionals
ORAL
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Authors
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Andrea Ferretti
- S3 Center, CNR - Istituto Nanoscienze, Modena, Italy.
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Ismaila Dabo
- CERMICS, Universite Paris-Est
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Matteo Cococcioni
- CEMS, University of Minnesota
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Nicola Marzari
- Department of Materials, Oxford University
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A new type of pseudopotentials: effective atomic pseudopotentials
ORAL
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Authors
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Jairo Ricardo Cardenas
- Max Planck Institute for Solid State Research
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Roby Cherian
- Max Planck Institute for Solid State Research
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Gabriel Bester
- Max Planck Institute for Solid State Research
- Max-Planck-Institut f\"ur Festk\"orperforschung
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