𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Atomic scattering potentials for an aluminum surface: Test of ab initio calculations

✍ Scribed by P. Tiwald; C. Lemell; A. Schüller; H. Winter; J. Burgdörfer


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
632 KB
Volume
269
Category
Article
ISSN
0168-583X

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Potential energy surfaces for liquid wat
✍ Kazuhiko Honda; Koji Kato 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 602 KB

A potential function expressed by intermolecular overlap integrals between localized molecular orbitals for water is proposed for liquid state simulations. The parameters for the potential function are calculated using the interaction energies resulting from ab initio calculations based on the MetIl

An ab Initio Calculation of a Six-Dimens
✍ P.C. Gomez; P.R. Bunker 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 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