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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


Atomic kinetic- and exchange-energy func
✍ R. López-Boada; V. Karasiev; E. V. Ludeña; R. Colle 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 183 KB

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

Generation of explicit electron correlat
✍ R. López-Boada; E. V. Ludeña; V. Karasiev; R. Colle 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 202 KB

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.