Jump to main content
Jump to site search

Issue 21, 2012
Previous Article Next Article

Wavefunction-based electron correlation methods for solids

Author affiliations

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

Back to tab navigation

Publication details

The article was received on 16 Dec 2011, accepted on 03 Feb 2012 and first published on 03 Feb 2012


Article type: Perspective
DOI: 10.1039/C2CP24020C
Citation: Phys. Chem. Chem. Phys., 2012,14, 7605-7614

  •   Request permissions

    Wavefunction-based electron correlation methods for solids

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

Search articles by author

Spotlight

Advertisements