# 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. of Grenoble Alpes (France); Inst. Laue-Langevin (ILL), Grenoble (France)
- Univ. of Illinois, Urbana-Champaign, IL (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Univ. of L'Aquila (Italy). Dept. of Physical and Chemical Sciences

- Publication Date:

- Research Org.:
- Univ. of Illinois, Urbana-Champaign, IL (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF); Italian Institute of Technology (IIT)

- 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:
- NA0002911; AC52-07NA27344; NA0001789; 259 SIMBEDD

- 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:
- 08 HYDROGEN; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 97 MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE

### Citation Formats

```
Holzmann, Markus, Clay, 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, 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. doi:10.1103/PhysRevB.94.035126.

```
Holzmann, Markus, Clay, Raymond C., Morales, Miguel A., Tubman, Norm M., Ceperley, David M., and Pierleoni, Carlo. Tue .
"Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids". United States.
doi: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, 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},

journal = {Physical Review B},

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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Cited by: 6works

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