Wavefunction Methods (ES3)
FOCUS · S31
Presentations
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The lord of the rings and ladders applied to solids and surfaces
Invited
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Presenters
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Andreas Grueneis
Institut fuer Theoretische Physik Technische Universitaet Wien
Authors
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Andreas Grueneis
Institut fuer Theoretische Physik Technische Universitaet Wien
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Localized active-space self-consistent field method: a size-extensive, linear-scaling MC-SCF approach for strongly-correlated materials
ORAL
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Presenters
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Matthew Hermes
Chemistry, University of Minnesota
Authors
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Matthew Hermes
Chemistry, University of Minnesota
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Laura Gagliardi
Chemistry, University of Minnesota, University of Minnesota, Department of chemistry, University of Minnesota
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Transitioning High-Accuracy Electronic Structure Methods from Molecules to the Solid State
ORAL
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Presenters
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Malte Lange
University of Chicago
Authors
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Malte Lange
University of Chicago
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Timothy Berkelbach
James Franck Institute, University of Chicago, University of Chicago, Department of Chemistry, University of Chicago
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Efficient Implementation of Exact Exchange for Periodic Systems within Concentric Atomic Density Fitting Approximation
ORAL
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Presenters
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Xiao Wang
Department of Chemistry, Virginia Tech
Authors
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Xiao Wang
Department of Chemistry, Virginia Tech
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Cannada Lewis
Department of Chemistry, Virginia Tech
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Edward Valeev
Department of Chemistry, Virginia Tech
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The treatment of vacuum in semi-periodic post-HF methods
Invited
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Presenters
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Qiming Sun
Caltech, Tencent America LLC, California Institute of Technology
Authors
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Qiming Sun
Caltech, Tencent America LLC, California Institute of Technology
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Garnet Chan
Caltech, Division of Chemistry and Chemical Engineering, California Institute of Technology, California Institute of Technology
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Optical properties of doped nanocrystals from correlated quantum chemistry
ORAL
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Presenters
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Bryan Lau
James Franck Institute, University of Chicago
Authors
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Bryan Lau
James Franck Institute, University of Chicago
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Timothy Berkelbach
James Franck Institute, University of Chicago, University of Chicago, Department of Chemistry, University of Chicago
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Quasiparticle spectra of polyacetylene using coupled-cluster singles and doubles (CCSD)
ORAL
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Presenters
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Taichi Kosugi
University of Tokyo, The University of Tokyo
Authors
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Taichi Kosugi
University of Tokyo, The University of Tokyo
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Yu-ichiro Matsushita
Tokyo Institute of Technology
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Coupled cluster theory for condensed phase spectroscopy
ORAL
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Presenters
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Alan Lewis
James Franck Institute, University of Chicago
Authors
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Alan Lewis
James Franck Institute, University of Chicago
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Timothy Berkelbach
James Franck Institute, University of Chicago, University of Chicago, Department of Chemistry, University of Chicago
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Effect of basis set on the outcome of external energy mediated chemical reactions
ORAL
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Presenters
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Sharma SRKC Yamijala
CEE, University of California, Riverside
Authors
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Sharma SRKC Yamijala
CEE, University of California, Riverside
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zulfi ali
CEE, University of California, Riverside
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Bryan M Wong
CEE, University of California, Riverside, University of California, Riverside
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Electronic Structure of NiO from Gaussian-based Periodic Coupled Cluster Theory
ORAL
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Presenters
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Yang Gao
Caltech
Authors
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Yang Gao
Caltech
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Mario Motta
Caltech
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James McClain
Caltech
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Qiming Sun
Caltech, Tencent America LLC, California Institute of Technology
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Garnet Chan
Caltech, Division of Chemistry and Chemical Engineering, California Institute of Technology, California Institute of Technology
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Austin Minnich
Caltech, California Institute of Technology
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