Effect of electron-electron correlations on the activation free energy of adiabatic electrochemical reactions of dissociative electron transfer
β Scribed by A. M. Kuznetsov; I. G. Medvedev; V. V. Sokolov
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2005
- Tongue
- English
- Weight
- 114 KB
- Volume
- 41
- Category
- Article
- ISSN
- 1023-1935
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π SIMILAR VOLUMES
WC h.vc mvcst~zrcd the dependence of rhc clcc~ronw I-actor III clccuon-tnnsfccr ra,e const.~nlr on tic cnmw gap and tcmpualurc by minimizing the clcctronic cncrgy wilh rcspcc~ to the mstanbncous non-equdbrmm solvent polar~~t~on. The clcctronic charge billows out and shrinks III rhc "normal" and slro
Hartree-pock wavefunctions and good approximations to the exact wavefunctions are used to demonstrate the effect of electron correlation on the rrtditl density D(rr) and the contours of the density distribution p(rr) in the He isoehrctronic sequence. In genemi, correfation effects diminish as the ch