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Interference-corrected explicitly-correlated second-order perturbation theory
Resource type
Authors/contributors
- Vogiatzis, Konstantinos D. (Author)
- Barnes, Ericka C. (Author)
- Klopper, Wim (Author)
Title
Interference-corrected explicitly-correlated second-order perturbation theory
Abstract
In the complete-basis-set (CBS) model chemistries, an interference correction is added to the total energy. It is added because the CBS-type extrapolation to the basis-set limit of second-order Møller–Plesset (MP2) perturbation theory usually overestimates the magnitude of the basis-set truncation error at higher levels of electron-correlation treatment. In this Letter, the question is pursued whether the CBS-type interference correction could also improve the computational results when the MP2 basis set limit is approached by means of explicitly-correlated MP2 theory using Slater-type geminals.
Publication
Chemical Physics Letters
Date
February 8, 2011
Volume
503
Issue
1
Pages
157-161
Journal Abbr
Chemical Physics Letters
Citation Key
vogiatzisInterferencecorrectedExplicitlycorrelatedSecondorder2011
Accessed
1/7/20, 4:05 PM
ISSN
0009-2614
Language
en
Library Catalog
ScienceDirect
Extra
23 citations (Crossref) [2023-10-31]
Citation
Vogiatzis, K. D., Barnes, E. C., & Klopper, W. (2011). Interference-corrected explicitly-correlated second-order perturbation theory. Chemical Physics Letters, 503(1), 157–161. https://doi.org/10.1016/j.cplett.2010.12.065
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