Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids
Journal Article
·
· Physical Review B
- Univ. Pierre et Marie Curie, Paris (France); Univ. Grenoble Alpes, Grenoble (France); Institut Laue-Langevin, Grenoble Cedex (France)
- Univ. of Illinois Urbana-Champaign, Urbana, IL (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Univ. of L'Aquila, L'Aquila (Italy)
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.
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Univ. of Illinois at Urbana-Champaign, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); Italian Institute of Technology (IIT); National Science Foundation (NSF)
- Grant/Contract Number:
- AC52-07NA27344; NA0001789; 259 SIMBEDD; NA0002911
- OSTI ID:
- 1368000
- Alternate ID(s):
- OSTI ID: 1261702; OSTI ID: 1358609
- Report Number(s):
- LLNL-JRNL-687062; PRBMDO
- Journal Information:
- Physical Review B, Vol. 94, Issue 3; ISSN 2469-9950
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Cited by: 64 works
Citation information provided by
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