Title of article
Padé approximation for the polynomial representation of the correlation energy density functional
Author/Authors
P. and Lَpez-Boada، نويسنده , , Roberto and Karasiev، نويسنده , , Valentin and Liu، نويسنده , , Shubin، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1997
Pages
10
From page
443
To page
452
Abstract
Polynomials in the one-third power of the density were recently proposed to represent approximately the correlation energy density functional [S. Liu and R.G. Parr, Phys. Rev. A 53 (1996) 2211]. Studied in the present work is a Padé-approximant in that same variable which overcomes weaknesses in the polynomial form. Numerical results for atoms and molecules show that Padé forms fairly reproduce the experimental values, and are comparable in accuracy with other commonly used local functionals for the correlation energy.
Journal title
Chemical Physics Letters
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1780853
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