𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A note on the AB initio calculation of intermolecular potentials: the HF dimer

✍ Scribed by Hans Lischka


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
253 KB
Volume
66
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Intermolecular potential of the acetonit
✍ Cianfranco La Manna πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 330 KB

SCF MO LCAO ab tnttio computations were carried out for 165 contigurattons of the acetomtrde dimer and the cd-c&ted interaction cnergtcs were fitted by an analyttcal potcnttal consisting of a 6-12 Lcnnard-Jones term plus a coulombic term. The configurations correspondtng to the energy mtntma fit quo

An ab Initio Calculation of a Six-Dimens
✍ P.C. Gomez; P.R. Bunker πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 318 KB

In an earlier paper (P. C. Gomez, P. R. Bunker. A. Karpfen, and H. Lischka, J. Mol. Spectrosc. 166, 44I-448, 1994) we calculated three-dimensional \(a b\) initio potential energy surfaces for the \(\mathrm{HCl}\) dimer at five different values of the dimer stretching coordinate \(R\) (the two \(\mat