𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Single-particle and quasiparticle interpretation of Kohn-Sham and generalized Kohn-Sham eigenvalues for hybrid functionals

✍ Scribed by Körzdörfer, T.; Kümmel, S.


Book ID
121742750
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
553 KB
Volume
82
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Calculation of the 4,5-dihydro-1,3,2-dit
✍ Saba M. Mattar; Jeremy Durelle 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 241 KB

The g tensor components of the 4,5-dihydro-1,3,2-dithiazolyl (H2DTA•) radical, which is a basic building block for molecular magnets and spintronic devices, is calculated by the coupled-perturbed Kohn-Sham (CPKS) hybrid density functional (HDF) and multireference configuration interaction-sum over s