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Journal of Materials Science

, Volume 47, Issue 21, pp 7447–7471 | Cite as

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

  • Xinguo Ren
  • Patrick Rinke
  • Christian Joas
  • Matthias Scheffler
First Principles Computations

Abstract

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.

Keywords

Mean Absolute Percentage Error Mean Absolute Error Atomization Energy Dissociation Limit Coulomb Integral 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media, LLC 2012

Authors and Affiliations

  • Xinguo Ren
    • 1
  • Patrick Rinke
    • 1
  • Christian Joas
    • 1
    • 2
  • Matthias Scheffler
    • 1
  1. 1.Fritz-Haber-Institut der Max-Planck-GesellschaftBerlinGermany
  2. 2.Max-Planck-Institut für WissenschaftsgeschichteBerlinGermany

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