Theoretical Chemical Physics
ORAL · C26 ·
Presentations
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Experimental and Computational study of azobenzene and 2,2',6,6'-tetrafluoroazobenzene cation.
ORAL
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Authors
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Mohammadreza Rezaee
- Department of Physics and Astronomy, Texas A&M University
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Peter B. Armentrout
- University of Utah
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Quantitative characterization of the errors of the 3d-transition-metal pseudopotentials in Diffusion Monte Carlo
ORAL
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Authors
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Allison Dzubak
- Oak Ridge National Laboratory
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Jaron Krogel
- Oak Ridge National Laboratory
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Fernando Reboredo
- Oak Ridge National Laboratory
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Asymptotic analysis of atomic correlation energies and the generalized gradient approximation
ORAL
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Authors
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Antonio Cancio
- Ball State Univ
- Ball State University
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Kieron Burke
- Departments of Physics and of Chemistry, UC Irvine
- Department of Chemistry and of Physics, University of California, Irvine, CA 92697, USA
- University of California Irvine
- University of California, Irvine
- Department of Chemistry and of Physics, University of California, Irvine
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Tim Gould
- Qld Micro- and Nanotechnology Centre, Griffith University, Qld Australia
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Method for the Direct Solve of the Many-Body Schr\"{o}dinger Wave Equation
ORAL
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Authors
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Jonathan Jerke
- Texas Tech University
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C. J. Tymczak
- Texas Southern University
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Bill Poirier
- Texas Tech University
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Hybrid Grid and Basis Set Approach to Quantum Chemistry DMRG
ORAL
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Authors
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Edwin Miles Stoudenmire
- Univ of California - Irvine
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Steven R. White
- Univ of California - Irvine
- Department of Physics \& Astronomy, University of California, Irvine
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Leading approximations to local corrections II: The case with turning points
ORAL
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Authors
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Raphael Ribeiro
- University of California San Diego
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Kieron Burke
- Departments of Physics and of Chemistry, UC Irvine
- Department of Chemistry and of Physics, University of California, Irvine, CA 92697, USA
- University of California Irvine
- University of California, Irvine
- Department of Chemistry and of Physics, University of California, Irvine
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Computationally Efficient Characterization of Potential Energy Surfaces Based on Fingerprint Distances
ORAL
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Authors
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Bastian Schaefer
- University of Basel
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Stefan Goedecker
- University of Basel
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Deep learning and the electronic structure problem
ORAL
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Authors
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Kyle Mills
- University of Ontario Institute of Technology
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Michael Spanner
- National Research Council of Canada
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Isaac Tamblyn
- University of Ontario Institute of Technology \& National Research Council of Canada
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Towards efficient coupled-cluster theories for periodic systems
ORAL
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Authors
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Theodoros Tsatsoulis
- Max Planck Institute for Solid State Research
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Felix Hummel
- Max Planck Institute for Solid State Research
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Andreas Grueneis
- Max Planck Institute for Solid State Research
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Computing observables and correlation functions of molecular systems with auxiliary-field quantum Monte Carlo
ORAL
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Authors
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Mario Motta
- The College of William and Mary
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Shiwei Zhang
- William & Mary Coll
- College of William and Mary
- The College of William and Mary
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Defect formation energies and equations of state of Mn oxides using diffusion Monte Carlo
ORAL
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Authors
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Vinit Sharma
- Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
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Jaron Krogel
- Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
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Paul Kent
- Center for Nanophase Materials Sciences and Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
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Fernando Reboredo
- Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
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Fermi-orbital Descriptors across the Periodic Table
ORAL
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Authors
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Kushantha Withanage
- Physics Department and Science of Advanced Materials Ph.D. Program, Central Michigan University
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Der-You Kao
- Physics Department, Central Michigan University
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Koblar Jackson
- Physics Department and Science of Advanced Materials Ph.D. Program, Central Michigan University
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