✦ LIBER ✦

Local density calculations of correlation energy for molecular systems

✍ Scribed by R. López-Boada; E. Valderrama; Y. Aray

Book ID: 113258216
Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 212 KB
Volume: 330
Category: Article
ISSN: 0166-1280
DOI: 10.1016/0166-1280(94)03874-k

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Local density expressions for the correl

Local density expressions for the correlation energy of atoms

✍ R.L. Boada; J.E. Maldonado; V.V. Karasiov 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 321 KB

Non-local exchange and local Coulomb cor

Non-local exchange and local Coulomb correlation energy density functionals for finite many-electron systems

✍ O.V. Gritsenko; A. Rubio; L.C. Balbás; J.A. Alonso 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 487 KB

A new non-local exchange energy functionalE,[ n] is developed within the weighted density approximation (WDA) and a local Coulomb correlation energy functional EJn] is developed within the local density approximation (LDA) for the calculation of ground state energies. Both fimctionals include novel

Application of a density matrix for calc

Application of a density matrix for calculating the correlation energy of multielectron systems

✍ M. A. Kamel'; L. N. Labzovskii 📂 Article 📅 1975 🏛 Springer 🌐 English ⚖ 358 KB

Validity of local density kinetic energy

Validity of local density kinetic energy expressions for electronic structure calculations

✍ J.R Chelikowsky 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 395 KB

Local exchange-correlation energy densit

Local exchange-correlation energy density functional for monotonically decaying spherical densities

✍ A. Savin; F. Colonna 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 451 KB

An approximate local-density expression

An approximate local-density expression for the correlation energy of atoms

✍ R.L. Boada; V.V. Karasiov 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 232 KB

An approximation for the correlation energy of closed-shell atomic systems is derived in the framework of the density-functional method based on perturbation theory.