Method for determining the ionization potential and electron affinity of atoms and molecules using electron spectroscopy
β Scribed by M. Yu. Dolomatov; G. R. Mukaeva
- Publisher
- Springer US
- Year
- 1992
- Tongue
- English
- Weight
- 310 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0021-9037
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π SIMILAR VOLUMES
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
## Abstract By making the atomic effective charge selfβconsistent 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
In this paper, we discuss the validity of our earlier derivation of a theory of molecular electron aftinities and ionization potentials\_ We show how one can improve upon our original derivation, which was not entirely consistent. by iteratively calculating both the ion and neutral molecule wavefun