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

Personal Author(s):

• Calais, Jean-Louis
• Deumens, Erik
• Ohrn, Yngve

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.

Descriptors:

• *VIBRATION
• *DYNAMICS
• *NUCLEI
• *ELECTRONS
• *NUCLEAR PROPERTIES
• FUNCTIONS
• ELECTRONICS
• TIME DEPENDENCE
• ATOMIC STRUCTURE
• COUPLINGS
• SELECTION
• CHAINS
• PARAMETERS
• MODELS
• EQUATIONS OF MOTION
• HIGH FREQUENCY

Subject Categories:

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

Distribution Statement:

APPROVED FOR PUBLIC RELEASE