A quantum model of the solvated electron in simple media
โ Scribed by A. A. Seregin; E. A. Seregina
- Book ID
- 110184282
- Publisher
- International Academic Publishing Co (Nauka/Interperiodica)
- Year
- 2008
- Tongue
- English
- Weight
- 209 KB
- Volume
- 82
- Category
- Article
- ISSN
- 0036-0244
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
A simple model of salvation within the molecular orbital method is proposed whereby the efiect of solvent molecuies is simulated by the inclusion of fractional point charges at the solvent atomic centers. The method is applied to three salvation problems: the hydr;ltion of Li+ and F-nnd the solvztio
The ground state energy of the hydrated electron in low temperature ice, AGice, is calculated on the assumption of a quantum electronic polaron model. The Hartree-Fock energy of the bottom of the conduction band, eHF, is estimated from a previous work and the correlation energy, ecorr, is calculated