CO2
Last modified by mohakala@helsinki_fi on 2024/02/07 06:22
ESRF experiment performed at ID16 in
- q-dependent data for N2, CO2, He
- T-dependence unclear
Previous experiments
- Cross section data sets for electron collisions with H2, O2, CO, CO2, N2O and H2O, see figure 7 for CO2.
Previous computations
- Bradley et al. PRA 2011: Reexamining the LBH-band
- N2 q-dependence calculated with Octopus, TDLDA,
- Casida's method (in Erkale as well) for LBH-related transitions
- Time-dependent method (not in Erkale) for a wider energy range
- Bradley et al. PRA 2011: Reexamining the LBH-band
New computations
- Erkale, TDLDA for N2, CO2, He ?
Key publications
Literature
- Ab initio vertical spectra and linear bent correlation diagrams for the valence states of CO2 and its singly charged ions, J. Chem. Phys. 65, 684 (1976)
- Photoexcitation and ionization in CO2... Phys. Rev. A 23, 218–235 (1981)
Other notes
- CO2 1st IP: 13.78 eV (exp), 9.28 (LDA) JCP 116, NUMBER 22 (2002) 9591
- N2 1st IP: 15.58 eV (exp), 10.41 (LDA) ---"---
- "double-slit" experiment?