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This content will become publicly available on July 12, 2017

Title: Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids

we give a general description of the theory of finite size extrapolations of energies of quantum systems to the thermodynamic limit based on one- and two-body correlation functions.
Authors:
 [1] ;  [2] ;  [3] ;  [2] ;  [2] ;  [4]
  1. Univ. Pierre et Marie Curie, Paris (France); Univ. of Grenoble Alpes (France); Inst. Laue-Langevin (ILL), Grenoble (France)
  2. Univ. of Illinois, Urbana-Champaign, IL (United States)
  3. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  4. Univ. of L'Aquila (Italy). Dept. of Physical and Chemical Sciences
Publication Date:
OSTI Identifier:
1358609
Grant/Contract Number:
NA0002911; AC52-07NA27344; NA0001789
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 3; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Univ. of Illinois, Urbana-Champaign, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
08 HYDROGEN