Accession Number:

ADA279652

Title:

A Model for Electron Nuclear Dynamics of a Monatomic Chain

Descriptive Note:

Technical rept. no. 3

Corporate Author:

FLORIDA UNIV GAINESVILLE QUANTUM THEORY PROJECT

Report Date:

1994-05-16

Pagination or Media Count:

31.0

Abstract:

The Electron Nuclear Dynamics END approach is developed for a linear chain in a parametrized model inspired by the PPP Pariser-Parr-Pople model. Particular attention is given to the model parameters, and the choice of basis functions in this time-dependent theory. The resulting equations of motion include electronic-vibrational couplings. Explicit analysis Of the simplest model leads to coupling between the highest frequency longitudinal vibrational mode and the electrons.

Subject Categories:

  • Nuclear Physics and Elementary Particle Physics
  • Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE