Focus Session: New Frontiers in Electronic Structure Theory IV
FOCUS · Q28 ·
Presentations
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Predictive Electronic Structure Methods for Model Charge Transfer Systems
COFFEE_KLATCH · Invited
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Authors
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Anna Krylov
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Exploiting explicitly correlated electronic structure methods for accurate molecular calculations involving heavy main group elements
ORAL
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Authors
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Kirk A. Peterson
- Washington State University
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Grant Hill
- Washington State University
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Gerald Knizia
- University of Stuttgart
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Hans-Joachim Werner
- University of Stuttgart
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Bethe-Salpeter equation without empty electronic states applied to charge-transfer excitations
ORAL
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Authors
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Dario Rocca
- Department of Chemistry, University of California, Davis
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Deyu Lu
- Department of Chemistry, University of California, Davis
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Giulia Galli
- Dept. of Chemistry and Dept. of Physics, UC Davis
- Department of Chemistry and Department of Physics, University of California Davis
- Dept of Chemistry \& Dept Physics, UC Davis
- Department of Chemistry and Department of Physics, UC Davis, USA
- Department of Chemistry and Department of Physics, University of California, Davis
- UC Davis
- Department of Chemistry, University of California, Davis, USA
- University of California, Davis
- Department of Chemistry and Department of Physics, University of California, Davis, CA, 95616
- Department of Chemistry and Department of Physics, University of California, Davis, CA 95616
- Chemistry Department and Physics Department UC Davis, Davis CA
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Efficient evaluation of dielectric response functions and calculations of ground and excited state properties beyond local Density Functional approaches
ORAL
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Authors
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Deyu Lu
- Department of Chemistry, UC Davis
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Yan Li
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Dario Rocca
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H. Viet Nguyen
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Francois Gygi
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Giulia Galli
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Ab-initio calculations of absorption spectra of Si nanostructures using iterative techniques to solve the Bethe-Salpeter Equation
ORAL
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Authors
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Yuan Ping
- Department of Chemistry, University of California, Davis
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Dario Rocca
- Department of Chemistry, University of California, Davis
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Deyu Lu
- Department of Chemistry, University of California, Davis
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Giulia Galli
- Dept. of Chemistry and Dept. of Physics, UC Davis
- Department of Chemistry and Department of Physics, University of California Davis
- Dept of Chemistry \& Dept Physics, UC Davis
- Department of Chemistry and Department of Physics, UC Davis, USA
- Department of Chemistry and Department of Physics, University of California, Davis
- UC Davis
- Department of Chemistry, University of California, Davis, USA
- University of California, Davis
- Department of Chemistry and Department of Physics, University of California, Davis, CA, 95616
- Department of Chemistry and Department of Physics, University of California, Davis, CA 95616
- Chemistry Department and Physics Department UC Davis, Davis CA
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Widths of Autoionizing Resonances from TDDFT
ORAL
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Authors
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Sharma Goldson
- Hunter College, City University of New York
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Chris Canahui
- Hunter College, 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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Explicitly-Correlated Electronic-Structure Methods for Single-Reference and Multi-Reference Systems
COFFEE_KLATCH · Invited
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Authors
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Edward Valeev
- Virginia Tech
- Virginia Polytechnic Institute and State University
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Resonance Lifetimes from Complex Densities
ORAL
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Authors
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Daniel Whitenack
- Department of Physics, Purdue University
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Adam Wasserman
- Department of Chemistry, Purdue University
- Dept. of Chemistry, Purdue University
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Time-dependent density functional theory for open quantum systems using unitary dynamics
ORAL
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Authors
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Alan Aspuru-Guzik
- Harvard University
- Department of Chemistry and Chemical Biology, Harvard University
- Department of Chemistry and Chemical Biology
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Importance of cusps in TDDFT
ORAL
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Authors
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Zenghui Yang
- University of California, Irvine
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Kieron Burke
- University of California, Irvine
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Time-dependent density-functional approach for exciton binding energies
ORAL
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Authors
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Aritz Leonardo
- Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA
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Volodymyr Turkowski
- Department of Physics and NSTC, University of Central Florida
- Department of Physics and NSTC, University of Central Florida, Orlando, FL 32816
- Department of Physics and NanoScience Technology Center, University of Central Florida, Orlando, Florida 32816, USA
- Dept. of Physics and NSTC, University of Central Florida, Orlando FL 32816
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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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