𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The differential correlation energy method for the calculation of electron affinities, ionization potentials, and vertical spectra

✍ Scribed by Arnold C. Wahl; Edward S. Sachs; John H. Detrich


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
62 KB
Volume
18
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Application of the PPP method to the cal
✍ R. G. Selsby; Philip Pennance; K. I. Barnhard πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 384 KB

## Abstract By making the atomic effective charge self‐consistent with the molecular charge density, it is shown that the PPP method can accurately predict the ionization potential and electron affinity computed as an energy difference of separately minimized ground and ionized states. The calculat

The ionization potential, electron affin
✍ Sherif A. Kafafi πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 241 KB

The ionization potential (IP), electron affinity (EA) and energy gap (E,) of polyimide are estimated from molecular orbital (MO) computations using the AMI method on model compounds. Their computed values are 8.5, 1.4 and 7.1 eV, respectively. Interestingly, it was found that the EA of polyimide is