Welcome to the new version of CaltechAUTHORS. Login is currently restricted to library staff. If you notice any issues, please email coda@library.caltech.edu
Published February 20, 1992 | public
Journal Article

Schrödinger equation for strongly interacting electron-transfer systems

Abstract

The Schrödinger equation for strongly interacting electron-transfer systems is described, the eigenvalues depending on a dielectric polarization function P(r) for the medium, on the internal coordinates q, and, when the electron transfer is coupled to a dissociation, on a generalized coordinate Q. A choice of the reaction coordinate for the variation of P(r), q, and Q, so as to reach the saddle-point, and the calculation of the free energy of activation are described. The question of suitable data on the solvent dependence of strong-overlap systems is also considered.

Additional Information

© 1992 American Chemical Society. Received: July 23, 1991. It is a pleasure to acknowledge helpful discussions with David Chandler, Casey Hynes and Hyung Kim and to acknowledge the support of this research by the Office of Naval Research.

Additional details

Created:
August 20, 2023
Modified:
October 23, 2023