𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Basis set representation of the electron density at an atomic nucleus

✍ Scribed by Mastalerz, Remigius; Widmark, Per-Olof; Roos, Björn Olof; Lindh, Roland; Reiher, Markus


Book ID
127014701
Publisher
American Institute of Physics
Year
2010
Tongue
English
Weight
342 KB
Volume
133
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Cumulative atomic multipole representati
✍ W.Andrzej Sokalski; R.A. Poirier 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 610 KB

A sunplc procedure to decompose the theoretical molecular charge distribution into cumulative atomic multipoles supplementirg .my population analysis scheme has been described and tested for a number of molecules in extended basis sets. TIIIS ~pprodch ma!, bc applied to describe local charge distrib