A new Wigner-like correlation-energy functional from coordinate scaling requirements
✍ Scribed by Leslie C. Wilson; Stanislav Ivanov
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 179 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
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 Ž . time of designing, led in 1990 to the development of the Wilson᎐Levy WL correlationenergy functional, Wigner-like with gradients. In this article, we present a new Wignerlike 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.