Focus Session: New Frontiers in Electronic Structure Theory III
FOCUS · P28 ·
Presentations
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Advances in Orbital-Free Density Functional Theory: Physics and Algorithms
COFFEE_KLATCH · Invited
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Authors
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Emily Carter
- Princeton University
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Charge-transfer excited states using a constrained density functional method
ORAL
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Authors
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Marco Olguin
- University of Texas at El Paso
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Rajendra Zope
- University of Texas at El Paso
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Tunna Baruah
- University of Texas at El Paso
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Phase-Space Density Functional Theory: A Quasiclassical Approach
ORAL
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Authors
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Izabela Raczkowska
- Hunter College, City University of New York
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Arun Rajam
- City University of New York
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Neepa Maitra
- Hunter College, CUNY
- City University of New York and Hunter College
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The unreasonable accuracy of asymptotic expansions: Why density functional theory works
ORAL
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Authors
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Kieron Burke
- University of California, Irvine
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Attila Cangi
- University of California, Irvine
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Donghyung Lee
- University of California, Irvine
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Peter Elliott
- University of California, Irvine
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Non-Koopmans correction to the convexity and inaccuracy of orbital levels in local and semilocal density-functional theories
ORAL
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Authors
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Ismaila Dabo
- University Paris Est
- Paris-Est University
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Andrea Ferretti
- DMSE, Massachusetts Institute of Technology
- MIT
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Nicolas Poilvert
- MIT
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Nicola Marzari
- MIT
- Massachusetts Institute of Technology
- DMSE, Massachusetts Institute of Technology
- Department of Materials Science and Engineering, MIT
- DMSE MIT
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Matteo Cococcioni
- Department of Chemical Engineering and Materials Science, University of Minnesota
- CEMS, University of Minnesota
- University of Minnesota
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New models for mixing wavefunctions with density functional theory
COFFEE_KLATCH · Invited
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Authors
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Gustavo Scuseria
- Rice University
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Implicit solvent model for density functional theory calculations
ORAL
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Authors
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Hatem Helal
- Cavendish Laboratory, University of Cambridge
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Mike C. Payne
- Cavendish Laboratory, University of Cambridge
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A.A. Mostofi
- Department of Physics and Materials, Imperial College London
- The Thomas Young Centre, Imperial College, London
- Imperial College London
- The Thomas Young Centre, Imperial College London
- Thomas Young Centre, Imperial College London
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Transition densities in time-dependent density functional theory
ORAL
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Authors
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Yonghui Li
- Department of Physics and Astronomy, University of Missouri, Columbia, MO 65211
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Carsten A. Ullrich
- University of Missouri - Columbia
- Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA
- Department of Physics and Astronomy, University of Missouri, Columbia, MO 65211
- Dept. of Physics and Astronomy, University of Missouri, Columbia, MO 65211
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Multi-domain decomposition method for real-time propagation of wave function
ORAL
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Authors
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Vladimir Goncharov
- Vanderbilt University
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Kalman Varga
- Vanderbilt University
- Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235
- Vanderbilt University Department of Physics and Astronomy
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Orbital magnetoelectric response of insulating crystals
ORAL
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Authors
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Andrei Malashevich
- UC Berkeley
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Ivo Souza
- UC Berkeley
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Sinisa Coh
- Rutgers University
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David Vanderbilt
- Rutgers University
- Department of Physics and Astronomy, Rutgers University
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