We analyze a combined (T+E)@ (r+s) Jahn-Teller plus pseudo-Jahn-Teller effect for the 'E ground state and the 'Tr first excited state in the P: cation. Ab initio SCF calculations point towards a significant interaction between the two states which are themselves subject to Jahn-Teller couplings. The
Theoretical investigation of Jahn–Teller and pseudo-Jahn–Teller interactions in the ammonia cation
✍ Scribed by Woywod, Clemens; Scharfe, Sandra; Krawczyk, Robert; Domcke, Wolfgang; Köppel, Horst
- Book ID
- 127067236
- Publisher
- American Institute of Physics
- Year
- 2003
- Tongue
- English
- Weight
- 722 KB
- Volume
- 118
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
We present a theoretical account of the Jahn-Teller (JT) and pseudo-Jahn-Teller (PJT) effects in the photoelectron spectrum of cyclopropane. The PJT interactions between the two JT split X 2 E 0 and Ã2 E 00 electronic states of the cyclopropane radical cation are examined. Nuclear dynamical simulati
## Abstract The photodetachment spectroscopy of B anion is theoretically studied with the aid of a quantum dynamical approach. The theoretical results are compared with the available experimental photoelectron spectra of B. Both B and B~3~ possess D~3__h__~ symmetry at the equilibrium configuration