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Random-phase approximation and its applications in computational chemistry and materials science

The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of RPA, and its applications to realistic systems. With several... Full description

Journal Title: Journal of materials science 2012-06-08, Vol.47 (21), p.7447-7471
Main Author: Ren, Xinguo
Other Authors: Rinke, Patrick , Joas, Christian , Scheffler, Matthias
Format: Electronic Article Electronic Article
Language: English
Subjects:
Publisher: Boston: Springer US
ID: ISSN: 0022-2461
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title: Random-phase approximation and its applications in computational chemistry and materials science
format: Article
creator:
  • Ren, Xinguo
  • Rinke, Patrick
  • Joas, Christian
  • Scheffler, Matthias
subjects:
  • Approximation
  • Characterization and Evaluation of Materials
  • Chemistry and Materials Science
  • Classical Mechanics
  • Computational chemistry
  • Computational efficiency
  • Condensed Matter
  • Correlation
  • Crystallography and Scattering Methods
  • Electronics
  • First Principles Computations
  • Formulations
  • general
  • Materials Science
  • Mathematical analysis
  • Organic chemistry
  • Physics - Materials Science
  • Polymer Sciences
  • Solid Mechanics
ispartof: Journal of materials science, 2012-06-08, Vol.47 (21), p.7447-7471
description: The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of RPA, and its applications to realistic systems. With several illustrating applications, we discuss the implications of RPA for computational chemistry and materials science. The computational cost of RPA is also addressed which is critical for its widespread use in future applications. In addition, current correction schemes going beyond RPA and directions of further development will be discussed.
language: eng
source:
identifier: ISSN: 0022-2461
fulltext: no_fulltext
issn:
  • 0022-2461
  • 1573-4803
  • 2331-8422
url: Link


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descriptionThe random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of RPA, and its applications to realistic systems. With several illustrating applications, we discuss the implications of RPA for computational chemistry and materials science. The computational cost of RPA is also addressed which is critical for its widespread use in future applications. In addition, current correction schemes going beyond RPA and directions of further development will be discussed.
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subjectApproximation ; Characterization and Evaluation of Materials ; Chemistry and Materials Science ; Classical Mechanics ; Computational chemistry ; Computational efficiency ; Condensed Matter ; Correlation ; Crystallography and Scattering Methods ; Electronics ; First Principles Computations ; Formulations ; general ; Materials Science ; Mathematical analysis ; Organic chemistry ; Physics - Materials Science ; Polymer Sciences ; Solid Mechanics
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abstractThe random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of RPA, and its applications to realistic systems. With several illustrating applications, we discuss the implications of RPA for computational chemistry and materials science. The computational cost of RPA is also addressed which is critical for its widespread use in future applications. In addition, current correction schemes going beyond RPA and directions of further development will be discussed.
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