## 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
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
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
## 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