Title of article :
Interference-corrected explicitly-correlated second-order perturbation theory
Author/Authors :
Vogiatzis، نويسنده , , Konstantinos D. and Barnes، نويسنده , , Ericka C. and Klopper، نويسنده , , Wim، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2011
Pages :
5
From page :
157
To page :
161
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.
Journal title :
Chemical Physics Letters
Serial Year :
2011
Journal title :
Chemical Physics Letters
Record number :
1930844
Link To Document :
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