Bulletin of the American Physical Society
APS March Meeting 2018
Volume 63, Number 1
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session A34: Petascale Science and Beyond: Applications and Opportunities for Materials, Chemical, and Bio Physics I
8:00 AM–11:00 AM,
Monday, March 5, 2018
LACC
Room: 409A
Sponsoring
Units:
DCOMP DCMP DMP DCP
Chair: Nichols Romero, Leadership Computing Facility, Argonne National Laboratory
Abstract ID: BAPS.2018.MAR.A34.4
Abstract: A34.00004 : Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods*
9:00 AM–9:12 AM
Presenter:
Shiwei Zhang
(Department of Physics, The College of William and Mary)
Authors:
Mario Motta
(Division of Chemistry and Chemical Engineering, Caltech)
David Ceperley
(Department of Physics, University of Illinois at Urbana-Champaign)
Garnet Chan
(Division of Chemistry and Chemical Engineering, Caltech)
John Gomez
(Department of Chemistry, Rice University)
Emanuel Gull
(Department of Physics, University of Michigan)
Sheng Guo
(Division of Chemistry and Chemical Engineering, Caltech)
Carlos Jiménez-Hoyos
(Department of Chemistry, Wesleyan University)
Tran Lan
(Department of Chemistry, University of Michigan)
Jia Li
(Department of Physics, University of Michigan)
Fengjie Ma
(Department of Physics, Beijing Normal University)
Andrew Millis
(Department of Physics, Columbia University)
Nikolai Prokof'ev
(Department of Physics, University of Massachusetts)
Ushnish Ray
(Division of Chemistry and Chemical Engineering, Caltech)
Gustavo Scuseria
(Department of Chemistry, Rice University)
Sandro Sorella
(SISSA-International School for Advanced Studies)
Edwin Stoudenmire
(Department of Physics and Astronomy, University of California at Irvine)
Qiming Sun
(Division of Chemistry and Chemical Engineering, Caltech)
Igor Tupitsyn
(Department of Physics, University of Massachusetts)
Steven White
(Department of Physics and Astronomy, University of California at Irvine)
Dominika Zgid
(Department of Chemistry, University of Michigan)
Shiwei Zhang
(Department of Physics, The College of William and Mary)
Collaboration:
Simons Collaboration on the Many-Electron Problem
variety of modern many-body methods are employed, with exhaustive cross-checks and
validation. Approaches for reaching the continuous space limit and the thermodynamic limit
are investigated, proposed, and tested. The detailed comparisons provide a benchmark for
assessing the current state of the art in many-body computation, and for the development of
new methods. The ground-state energy per atom in the linear chain is accurately determined
versus bondlength, with a confidence bound given on all uncertainties [1].
[1] Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan, John A. Gomez, Emanuel Gull, Sheng Guo, Carlos A. Jiménez-Hoyos, Tran Nguyen Lan, Jia Li, Fengjie Ma, Andrew J. Millis, Nikolay V. Prokof'ev, Ushnish Ray, Gustavo E. Scuseria, Sandro Sorella, Edwin M. Stoudenmire, Qiming Sun, Igor S. Tupitsyn, Steven R. White, Dominika Zgid, and Shiwei Zhang (Simons Collaboration on the Many-Electron Problem) Phys. Rev. X 7, 031059 (2017)
*Work supported by the Simons Foundation.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.MAR.A34.4
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