𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The configuration interaction method, and the triplet-singlet splitting in CH2

✍ Scribed by Ali H. Pakiari; Nicholas C. Handy

Book ID
104802284
Publisher
Springer
Year
1975
Tongue
English
Weight
399 KB
Volume
40
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The singlet-triplet splitting of the low
The singlet-triplet splitting of the low-lying electronic states of H2O2+ and a comparison with isoelectronic CH2 and CH22+
✍ Gernot Frenking; Wolfram Koch πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 519 KB

At the MP2/6-3 I G( d,p) level of theory using complex orbitals, the lowest-lying (bound) singlet state of H,O'+ is the linear 'As state 2 with an O-H bond distance of 1.199 A. 1 is estimated to be x 46 kcal/mol higher in energy than the lowest-lying %; state 2 of HzO'+. 1 and 2 are compared to the