𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Note on the generation of a new basis set for band structure calculations of infinite stacks

✍ Scribed by F. Bogár; J. Ladik


Book ID
114143997
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
98 KB
Volume
501-502
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Generation of a basis set for the calcul
✍ Michał Jaszuński; Ludwik Adamowicz 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 335 KB

Completeness condltlons have been appkd III thz theory of molecular magnetrc properttes to determme the best gauge for a given basis set They can smukly be used to optmuse the basis for a fLxed gauge orlgm Test results mdlclte that the gauge dependence of the calculated properties can be slgmfkantly

Note on the generation of Gaussian bases
✍ Márcio H. F. Bettega; Alexandra P. P. Natalense; Marco A. P. Lima; Luiz G. Ferre 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 268 KB 👁 2 views

We present a technique to generate Cartesian Gaussian bases for electronic configuration and cross-section calculations on molecules. The technique is specially useful for pseudopotential work, when the bases cannot be tabulated because they depend on the specific choice of the pseudopotential.