skip to main content

DOE PAGESDOE PAGES

Title: 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

We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A 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 bond length, with a confidence bound given on all uncertainties.
Authors:
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; more »; « less
Publication Date:
Grant/Contract Number:
SC0001303; DOE-SC0008624; ER 46932; ER16391; SC008696; PHY-1314735; hp120174; hp140092; hp160126; hp170079
Type:
Published Article
Journal Name:
Physical Review. X
Additional Journal Information:
Journal Volume: 7; Journal Issue: 3; Journal ID: ISSN 2160-3308
Publisher:
American Physical Society
Research Org:
College of William and Mary, Williamsburg, VA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Orgs:
Simons Collaboration on the Many-Electron Problem
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
OSTI Identifier:
1395398
Alternate Identifier(s):
OSTI ID: 1426200