Published February 20, 1992 | Version 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

Identifiers

Eprint ID
57529
DOI
10.1021/j100183a048
Resolver ID
CaltechAUTHORS:20150514-110110841

Related works

Describes
10.1021/j100183a048 (DOI)

Funding

Office of Naval Research (ONR)

Dates

Created
2015-05-14
Created from EPrint's datestamp field
Updated
2021-11-10
Created from EPrint's last_modified field

Caltech Custom Metadata

Other Numbering System Name
Caltech Noyes Laboratory of Chemical Physics
Other Numbering System Identifier
8476