General Theory: Density Functional Theory
ORAL · H21 ·
Presentations
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Effects of semicore d-electrons in screened-exchange density functional methods
ORAL
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Authors
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Byounghak Lee
- Lawrence Berkeley National Laboratory
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Lin-Wang Wang
- Lawrence Berkeley National Laboratory, Berkeley, CA 94720
- Lawrence Berkeley National Laboratory
- Computational Research Division, LBNL
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Asymptotic Near Nucleus Structure of the Electron-Interaction Potential in Local Effective Potential Theories
ORAL
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Authors
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Viraht Sahni
- The Graduate School, CUNY
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Zhixin Qian
- Peking University
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Wave Function Functional via the Normalization Constraint
ORAL
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Authors
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Xiao-Yin Pan
- The Graduate School, CUNY
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Viraht Sahni
- The Graduate School, CUNY
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Lou Massa
- The Graduate School, CUNY
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A new approach to in full potential multiple scattering theory electronic structure calculations
ORAL
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Authors
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G. Malcolm Stocks
- Oak Ridge National Laboratory
- ORNL
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Yang Wang
- PSC
- Pittsburgh Supercomputing Center, Carnegie Mellon University
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Aurelian Rusanu
- ORNL
- Oak Ridge National Laboratory
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Don Nicholson
- Oak Ridge National Laboratory
- ORNL
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Markus Eisenbach
- ORNL
- Oak Ridge National Laboratory
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Yevgeniy Puzyrev
- Oak Ridge National Laboratory
- ORNL
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Optical properties of real surfaces: local field effects at oxidized Si(100)(2x2) computed with an efficient numerical scheme
ORAL
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Authors
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Lucia Caramella
- Physics Dept. University of Milano (Italy)
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Giovanni Onida
- Physics Dept. University of Milano (Italy)
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Fabio Finocchi
- Institut des Nanosciences de Paris (INSP) (France)
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Lucia Reining
- Laboratoire des Solides Irradi\'ees CNRS-CEA, Ecole Polytechnique (France)
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Francesco Sottile
- Laboratoire des Solides Irradi\'ees CNRS-CEA, Ecole Polytechnique (France)
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Quantum mechanical models of energy dependence on fractional charge
ORAL
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Authors
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Steven Valone
- Materials Science and Technology Division, Los Alamos National Laboratory
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Susan Atlas
- Department of Physics and Astronomy, University of New Mexico
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Wave Function Functionals via the Constraint of the Expectations of Hermitian Single-Particle Operators
ORAL
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Authors
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Marlina Slamet
- Sacred Heart University
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Xiao-Yin Pan
- The Graduate School, CUNY
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Viraht Sahni
- The Graduate School, CUNY
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Molecular grand-canonical ensemble density functional theory
ORAL
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Authors
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O. Anatole von Lilienfeld
- New York University
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Mark Tuckerman
- New York University
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The Accuracy of calculated electronic ground state energies
ORAL
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Authors
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Bernard Delley
- Paul Scherrer Institut
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Russell D. Johnson
- National Institute of Standards and Technology
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Time-dependent optimized effective potential for quantum wells
ORAL
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Authors
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Harshani Wijewardane
- Department of Physics and Astronomy, University of Missouri-Columbia
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C.A. Ullrich
- Department of Physics and Astronomy, University of Missouri, Columbia, MO 65211
- Department of Physics and Astronomy, University of Missouri-Columbia
- Department of Physics and Astronomy, University of Missouri - Columbia
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Time-dependent density functional approach for ultrafast optical phenomena
ORAL
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Authors
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Volodymyr Turkowski
- Department of Physics and Astronomy, University of Missouri, Columbia, MO 65211
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C.A. Ullrich
- Department of Physics and Astronomy, University of Missouri, Columbia, MO 65211
- Department of Physics and Astronomy, University of Missouri-Columbia
- Department of Physics and Astronomy, University of Missouri - Columbia
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Dynamical Effects in the Interaction of Energetic Ions and Matter
ORAL
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Authors
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Ryan M. Hatcher
- Vanderbilt University
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Matthew J. Beck
- Vanderbilt University
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Sokrates T. Pantelides
- Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235
- Vanderbilt University
- Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235 and Oak Ridge National Laboratory, Oak Ridge, TN 37831
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Accelerating self consistent field convergence by rubber sheeting of initial electronic wave functions.
ORAL
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Authors
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G. Eric Matthews
- Wake Forest University
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N.A.W. Holzwarth
- Wake Forest University
- Wake Forest U.
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George Martin
- Wake Forest University
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Briana Keeling
- Wake Forest University
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Douglas Agopsowicz
- Wake Forest University
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Current-density functional theory of the friction of ions in an interacting electron gas.
ORAL
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Authors
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V. U. Nazarov
- Research Center for Applied Sciences, Academia Sinica, Taipei, Taiwan
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J. M. Pitarke
- Materia Kondentsatuaren Fisika Saila, Zientzi Fakultatea, Euskal Herriko Unibertsitatea, Bilbo, Spain
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Y. Takada
- Institute for Solid State Physics, University of Tokyo, Kashiwa, Japan
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G. Vignale
- University of Missouri-Columbia
- University of Missouri
- Department of Physics and Astronomy, University of Missouri
- Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA
- Department of Physics and Astronomy, University of Missouri, Columbia, Missouri, USA
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Y.-C. Chang
- Academia Sinica
- Research Center for Applied Sciences, Academia Sinica
- Research Center for Applied Sciences, Academia Sinica, Taipei, Taiwan
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