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.

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Bibliographic Details
Published in:Physical review. B 2016-07, Vol.94 (3), Article 035126
Main Authors: Holzmann, Markus, Clay, Raymond C., Morales, Miguel A., Tubman, Norm M., Ceperley, David M., Pierleoni, Carlo
Format: Article
Language:English
Subjects:
08 HYDROGEN
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
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Description
Summary: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.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.94.035126