Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids
Abstract
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:
-
- 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)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Univ. of Illinois at Urbana-Champaign, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); Italian Institute of Technology (IIT); National Science Foundation (NSF)
- OSTI Identifier:
- 1368000
- Alternate Identifier(s):
- OSTI ID: 1261702; OSTI ID: 1358609
- Report Number(s):
- LLNL-JRNL-687062
Journal ID: ISSN 2469-9950; PRBMDO
- Grant/Contract Number:
- AC52-07NA27344; NA0001789; 259 SIMBEDD; NA0002911
- Resource Type:
- Journal Article: 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)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 97 MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; 08 HYDROGEN
Citation Formats
Holzmann, Markus, Clay, III, Raymond C., Morales, Miguel A., Tubman, Norm M., Ceperley, David M., and Pierleoni, Carlo. Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids. United States: N. p., 2016.
Web. doi:10.1103/PhysRevB.94.035126.
Holzmann, Markus, Clay, III, Raymond C., Morales, Miguel A., Tubman, Norm M., Ceperley, David M., & Pierleoni, Carlo. Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids. United States. https://doi.org/10.1103/PhysRevB.94.035126
Holzmann, Markus, Clay, III, Raymond C., Morales, Miguel A., Tubman, Norm M., Ceperley, David M., and Pierleoni, Carlo. 2016.
"Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids". United States. https://doi.org/10.1103/PhysRevB.94.035126. https://www.osti.gov/servlets/purl/1368000.
@article{osti_1368000,
title = {Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids},
author = {Holzmann, Markus and Clay, III, Raymond C. and Morales, Miguel A. and Tubman, Norm M. and Ceperley, David M. and Pierleoni, Carlo},
abstractNote = {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.},
doi = {10.1103/PhysRevB.94.035126},
url = {https://www.osti.gov/biblio/1368000},
journal = {Physical Review B},
issn = {2469-9950},
number = 3,
volume = 94,
place = {United States},
year = {Tue Jul 12 00:00:00 EDT 2016},
month = {Tue Jul 12 00:00:00 EDT 2016}
}
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