Study of some surface properties using a simple gradient expansion of the kinetic energy density functional
โ Scribed by O. H. Mobarek; M. R. Arafah
- Book ID
- 112752997
- Publisher
- Italian Physical Society
- Year
- 1990
- Tongue
- English
- Weight
- 326 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0392-6737
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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 model membrane, whose surfaces are maintained at the differing surface potentials, V 1 and V 2 , on its inner and outer surfaces, that has been studied previously is extended to include explicit solvent molecules. The solvent primitive model, where the solvent molecules are treated as hard spher