Exact exchange-only density functional theory by means of local scaling transformations
✍ Scribed by E.V. Ludeña; R. López-Boada; J.E. Maldonado
- Book ID
- 113258161
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 559 KB
- Volume
- 330
- Category
- Article
- ISSN
- 0166-1280
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📜 SIMILAR VOLUMES
Using several types of simple generating orbitals, explicit expressions for w x w x the kinetic-energy functional T and the exchange functional E were generated in the context of the local-scaling transformation version of density functional theory. The variational parameters in these orbitals were
We discuss in the present work the treatment of electron correlation within the context of the local scaling transformation version of density functional theory. This is done by resorting to a locally scaled transcorrelated Hamiltonian of Boys and w Ž .x Handy S. F. Boys and N. C. Handy, Proc. Roy.