𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density Functional Calculations of Electronic g -Tensors Using Spin−Orbit Pseudopotentials and Mean-Field All-Electron Spin−Orbit Operators

✍ Scribed by Malkina, Olga L.; Vaara, Juha; Schimmelpfennig, Bernd; Munzarová, Markéta; Malkin, Vladimir G.; Kaupp, Martin


Book ID
118158656
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
144 KB
Volume
122
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Calculation of electronic g-tensors for
✍ Martin Kaupp; Roman Reviakine; Olga L. Malkina; Alexei Arbuznikov; Bernd Schimme 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 120 KB

We report the first implementation of the calculation of electronic g-tensors by density functional methods with hybrid functionals. Spin-orbit coupling is treated by the atomic meanfield approximation. g-Tensors for a set of small main group radicals and for a series of ten 3d and two 4d transition