On the role of short- and long-range forces in aqueous systems
โ Scribed by I. Nezbeda
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 423 KB
- Volume
- 85
- Category
- Article
- ISSN
- 0167-7322
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Short-and long-range effects m calculations for mfimte pcrlodlc systems (crystals) are rchtlvc. because cholcc of the umt cell LS not unquc. This choxe can be of prlmvy computational Importance when performmg calcuhtlons wIthin the Imitcncighbour approulmrtlon.
By means of a density functronal trea1ment and a slab model for the density profile of the fluid, evphnt corrections to rhe classlal macroscopic formulae for the pressure at which captiry condensation occurs and for captirg rise are derived. Ille corections mvolve a multiple of the thrckness of the
Born and I'iucd-nuclei approximation (sudden approximation) quantum mcchanicnl calculations of the sum of the clnstic xarrcring anti rotitional escitntion diflkrential cross sections arc presented, compared to publiahcd cspcrimcntal vnlucs. and interpreted in terms of the forces