An approximate solution to the single‐particle Schrödinger equation with an oblate spheroidal potential well of finite depth is presented. The electronic matrix element HBA for thermal electron transfer is calculated using these wave functions, and is compared with values of HBA obtained using the exact solution of the same Schrödinger equation. The present method yields accurate results for HBA, within the oblate spheroidal potential well model, and is useful for examining the orientational effects of the two centers on the rate of electron transfer.
© 1986 American Institute of Physics
A Semiclassical Model for Orientation Effects in Electron Transfer Reactions. Robert J. Cave, Stephen J. Klippenstein, and R. A. Marcus, J. Chem. Phys. 84, 3089 (1986), DOI:10.1063/1.450290.