𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Gradient expansion of the Coulomb exchange energy

✍ Scribed by Gross, E. K. U. ;Dreizler, R. M.

Publisher
Springer
Year
1981
Tongue
English
Weight
279 KB
Volume
302
Category
Article
ISSN
1434-601X

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Gradient expansion of the atomic kinetic
Gradient expansion of the atomic kinetic energy functional
✍ Wen-Ping Wang; Robert G. Parr; Danny R. Murphy; George A. Henderson πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 368 KB

It IS dcmonstratcd th.!t the ground-state atomic kinetic energy functlonal T[p] , wluxe p is the electron density, can bc computed to surprrsing accuracy from the truncated gradient cupanslon: T[p] = To[pJ + Tz [p] f Tq[pj, wrth To[p] = 1\_:(3n2)2'3 1~"~ dT. Tz[P] = +2 JW/J)~P-~ dr, and 'T,4 [p] giv

The Heξ—ΈHe Coulomb and exchange interacti
The Heξ—ΈHe Coulomb and exchange interaction energy
✍ P. Cremaschi; G. Morosi; M. Raimondi; M. Simonetta πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 395 KB

THE He-He COULOMB AND EXCHANGE INTERACTION ENERGY I'. CKEhlASCf-11 I'h Coulomb and cschangc interaction uncrgg be~wccn two hcliun~ atow is calculated. incrcasinp systen~ntimlly the basis WI. by ;1 supcrmolccufnr mcrhod which cscludes the superposition error by using non-ortho~onal orbitols. A: 5.6 b