𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The effect of basis set variation and correlation on the second hyperpolarizability of H2O

✍ Scribed by M.G. Papadopoulos; J. Waite


Book ID
113257244
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
720 KB
Volume
235
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Basis set and correlation effects on geo
✍ Anders Broo πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 1001 KB

An extensive investigation of the basis-set effect on the predicted geometry of the redox pair [ R U ( N H ~) ~] ~+ / ~+ is presented. Basis sets where the core electrons have been replaced with a relativistic core potential as well as all-electron basis sets were tested. Best agreement with observa