Random-phase approximation and its applications in computational chemistry and materials science
Xin-Guo Rena✉, P. Rinkea, C. Joasa b, M. Schefflera
- aFritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany
- bMax-Planck-Institut für Wissenschaftsgeschichte, Boltzmannstr. 22, 14195, Berlin, Germany
- ✉Corresponding author
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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.
TL;DRThe random-phase approximation as an approach for computing the electronic correlation energy and its applications to realistic systems are reviewed and the implications of RPA for computational chemistry and materials science are discussed. (Semantic Scholar)