Through-bridge electron transfer: A propagator study of a simple three-site model
β Scribed by Leslie J. Root; Mary Jo Ondrechen
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 377 KB
- Volume
- 88
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Recewcd 22 hkuch 1982
Electron transfer m a model symmetncai bndged system A-B-A IS investigated using smgle-particle Green's functions.
The dependence of the rate of electron transfer and the degree of mstantaneous spatial delocahzation upon the energy of the bans orbital of the bndgmg species B. relative to the energy of the donor (and acceptor) species A, is investigated
π SIMILAR VOLUMES
## Abstract We have tested the reference interaction site model (RISM) for the case of the hypernetted chain (HNC) and the partially linearized hypernetted chain (PLHNC) closures improved by a repulsive bridge correction (RBC) for ionic hydrated species. We have analyzed the efficiency of the RISM/
The idea of correcting the single-reference coupled cluster CC method truncated at the Ε½ . pair cluster level CCSD by means of three-and four-body corrections coming from w Ε½ .