ISSN:
0020-7608
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
To arrive at the very best approximations to the correlation energy in density functional theory, it is worthwhile to investigate the properties of the exact correlation-energy functional and to design functionals that obey as many constraints as possible. Examples of such requirements include uniform and nonuniform coordinate scaling. An attempt to obey the uniform scaling constraints, the only ones known at the time of designing, led in 1990 to the development of the Wilson-Levy (WL) correlation-energy functional, Wigner-like with gradients. In this article, we present a new Wigner-like functional that obeys most coordinate scaling requirements and gives results competitive with ones obtained from other correlation-energy functionals. Numerical results obtained by means of this new functional are presented. Ideas for further development of this kind of functional are discussed. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 523-532, 1998
Additional Material:
3 Tab.
Type of Medium:
Electronic Resource
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