On the empirical validity of koopmans’ theorem
✍ Scribed by F. W. Birss; W. G. Laidlaw
- Publisher
- Springer
- Year
- 1964
- Tongue
- English
- Weight
- 376 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The nitrogen molecule is one of the simplest and best known examples wilere Koopmans'theorem not only fails in predicting accurate values for tbs. vertical ionization potentials but even yields tl,,! wrong sequence of the two lowest ionizations. In this paper a perturbation treatment we had presente
For 26 molecules the experimentally determined negative electron affinities resulting from electron transmission spectroscopy are compared to the theoretically determined eigenvalues of the lowest unoccupied molecular orbitals ( eLUMo) of the neutral compounds, and to the eigenvalues of the highest