✦ LIBER ✦

Coulomb-attenuated exchange energy density functionals

✍ Scribed by GILL, PETER M. W.; ADAMSON, ROSS D.; POPLE, JOHN A.

Book ID: 115489048
Publisher: Taylor and Francis Group
Year: 1996
Tongue: English
Weight: 257 KB
Volume: 88
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268979609484488

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

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

Coulomb Exchange Energy from Shell-Model

Coulomb Exchange Energy from Shell-Model Wave Functions

✍ Swamy, N.; Green, A. 📂 Article 📅 1958 🏛 The American Physical Society 🌐 English ⚖ 262 KB

On the gradient expansions of the kineti

On the gradient expansions of the kinetic and exchange energy density functionals

✍ O. H. Mobarek 📂 Article 📅 1988 🏛 Springer-Verlag,Italian Physical Society ⚖ 632 KB

Coulomb functions (Negative energies)

✍ K.L. Bell; N.S. Scott 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 44 KB

High speed storage required: 90 000 bytes No. of bits in a word: 8 Overlay structure: none No. of magnetic tapes required: none Other peripherals used: card reader, lineprinter for driver No. of cards in combined program and test deck: 698

Exchange and correlation energy in densi

Exchange and correlation energy in density functional theory

✍ R. K. Nesbet 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 352 KB 👁 2 views

Several different versions of density functional theory (DFT) that satisfy Hohenberg-Kohn theorems are characterized by different definitions of a reference or model state determined by an N-electron ground state. A common formalism is developed in which exact Kohn-Sham equations are derived for sta

A nonlocal correlation energy density fu

A nonlocal correlation energy density functional from a Coulomb hole model

✍ Michael Filatov; Walter Thiel 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 232 KB

A nonlocal correlation energy density functional based on the approximation of a model Coulomb hole is presented. The functional is constructed to describe both the homogeneous electron gas and nonuniform systems. In the nonuniform case, the functional satisfies all uniform, as well as most nonunifo