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Issue 21, 2012
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Wavefunction-based electron correlation methods for solids

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Abstract

In this article we provide an overview of the most common ways of treating electron correlation effects in 3D-periodic systems with some emphasize on wavefunction-based correlation methods such as the method of increments and the local MP2 method implemented in the CRYSCOR program. We discuss strengths and weaknesses of the different approaches and give examples for their application. Additionally, for the method of increments we discuss recent developments for its application to open shell systems and problems related to the treatment of graphene sheets.

Graphical abstract: Wavefunction-based electron correlation methods for solids

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Article information


Submitted
16 Dec 2011
Accepted
03 Feb 2012
First published
03 Feb 2012

Phys. Chem. Chem. Phys., 2012,14, 7605-7614
Article type
Perspective

Wavefunction-based electron correlation methods for solids

C. Müller and B. Paulus, Phys. Chem. Chem. Phys., 2012, 14, 7605
DOI: 10.1039/C2CP24020C

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