Title of article
Empirical density functionals
Author/Authors
Adamson، نويسنده , , Ross D and Gill، نويسنده , , Peter M.W and Pople، نويسنده , , John A، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
6
From page
6
To page
11
Abstract
Using a set of accurate experimental data for calibration, we have constructed an empirical exchange-correlation density functional, EDF1. When applied self-consistently with the 6-31+G* basis set, EDF1 yields results in significantly better agreement with the experimental data than either the B-LYP or B3-LYP functional.
Journal title
Chemical Physics Letters
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1772328
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