The vertical electron detachment energy of Cc and the adiabatic electron affinity of Cs are calculated with ab initio electron propagator methods. The former energy difference is 2.86 eV and the latter is 2.82 eV. These values are in close agreement with recent experimental determinations. Structura
Electron propagator calculations on the discrete spectra of ArH and NeH
β Scribed by Eric P. Parker; J.V. Ortiz
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 390 KB
- Volume
- 163
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Electron propagator calculations on the electron affinities of ArH+ and NeH+ are performed at the equilibrium bond lengths of these cations. Several neutral state energies with *Z+ and 'II symmetry are calculated with basis sets that include many diffuse s and p functions. Certain features in experimental spectra are assigned to transitions between E *lI (II= 3) and A 'Zf (n=2 ) Rydberg states.
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