𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theory of spin triplet ground states ind6transition metal compounds and the effect of high-energy states on the nature of the ground state

✍ Scribed by E. König; R. Schnakig


Publisher
Springer
Year
1973
Tongue
English
Weight
268 KB
Volume
30
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


INDO-Type calculations on the ground sta
✍ Michael C. Böhm; Rolf Gleiter 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 711 KB

## Abstract By means of the ΔSCF and transition operator (TO) methods based on a recently developed INDO extension to the first transition metal series, the first ionization potentials of benzene—chromium tricarbonyl (**I**), cyclopentadienyl manganese tricarbonyl (**II**), the iron—tricarbonyl com

Density Functional Theory (DFT) studies
✍ Cao Xiao-Yan; Hong Gong-Yi; Wang Dian-Xun; Li Le-Min; Xu Guang-Xian 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 270 KB 👁 1 views

Density Functional Theory (DFT) studies on the ground state of N03(2A'2) radical and the first triplet state of NO; cation ~~ ~ CAO, Xiao-Yan"($?&%) LI, Le-Minb(%%R) XU, G ~X i a n \* ( ~% % ) "State Key Laboratory for Structurd Chemistry of Unstable and Stuble S p c k , Instit& of Chmktry, Chime Ac

Intruder states in multireference pertur
✍ Cristopher Camacho; Henryk A. Witek; Shigeyoshi Yamamoto 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 520 KB

## Abstract A detailed analysis of a severe intruder state problem in the multistate multireference perturbation theory (MS‐MRPT) calculations on the ground state of manganese dimer is presented. An enormous number of detected intruder states (> 5000) do not permit finding even an approximate shape