Approximations in the theory of charge transfer through bridged systems

Citation
Bl. Burrows et al., Approximations in the theory of charge transfer through bridged systems, INT J QUANT, 72(3), 1999, pp. 207-220
Citations number
26
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
72
Issue
3
Year of publication
1999
Pages
207 - 220
Database
ISI
SICI code
0020-7608(19990405)72:3<207:AITTOC>2.0.ZU;2-W
Abstract
Using Laplace transforms, analytical approximations are obtained in a simpl e way for the probabilities of charge transfer between donor and acceptor s tates coupled by a bridge. As a test, these are compared with accurate and numerical calculations when the bridge is treated as a standard diatomic Hu ckel chain, whose energies lie in two separate bands, the lower (upper) ban d being completely full (empty). The analytical approximations are found to be generally accurate and provide useful insight into the charge transfer process. (C) 1999 John Wiley & Sons, Inc.