Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

A key component in calculations of exchange and correlation energies is the Coulomb operator, which requires the evaluation of two-electron integrals. For localized basis sets, these four-center integrals are most efficiently evaluated with the resolution of identity (RI) technique, which expands ba...

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Bibliographic Details
Main Authors: Arvid Conrad Ihrig, Jürgen Wieferink, Igor Ying Zhang, Matti Ropo, Xinguo Ren, Patrick Rinke, Matthias Scheffler, Volker Blum
Format: Article
Language:English
Published: IOP Publishing 2015-01-01
Series:New Journal of Physics
Subjects:
resolution of identity
hybrid density functionals
MP2
RPA
density fitting
Online Access:https://doi.org/10.1088/1367-2630/17/9/093020

Internet

https://doi.org/10.1088/1367-2630/17/9/093020

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