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Titel:

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

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Ren, Xinguo; Rinke, Patrick; Joas, Christian; Scheffler, Matthias
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 u...     »
Zeitschriftentitel:
Journal of Materials Science 2012-06
Jahr:
2012
Band / Volume:
47
Heft / Issue:
21
Seitenangaben Beitrag:
7447-7471
Volltext / DOI:
doi:10.1007/s10853-012-6570-4
Verlag / Institution:
Springer Science and Business Media LLC
E-ISSN:
0022-2461; 1573-4803
Publikationsdatum:
08.06.2012
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