Electron Propagator Theory and Application

Abstract

The electron propagator theory is presented with somewhat of a historical perspective and the working equations are developed with the aim to take advantage of molecular point group symmetry. A new electron propagator code, the vectorized electron propagator program (VEP), is introduced without full details about its structure and capabilities (such details are being published elsewhere. Applications to the (UV) photoelectron spectra of some donor-acceptor complexes of borane with carbon monoxide and water are presented at the level of second-order theory as an illustration of the theory and the VEP code.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
May 16, 1994
Accession Number
ADA279761

Entities

People

  • Benoît Champagne
  • Ricardo Longo
  • Yngve Oehrn

Organizations

  • University of Florida

Tags

Communities of Interest

  • Energy and Power Technologies
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Abstracts
  • Amplitude
  • Carbon Monoxide
  • Chemistry
  • Dielectric Gases
  • Eigenvalues
  • Electrons
  • Elements
  • Equations
  • Fermions
  • Monoxides
  • Perturbation Theory
  • Photoelectron Spectra
  • Photoelectrons
  • Plane Waves
  • Spectra
  • Symmetry

Fields of Study

  • Chemistry
  • Physics

Readers

  • Calculus or Mathematical Analysis
  • Organic Chemistry
  • Plasma Physics / Magnetohydrodynamics

Technology Areas

  • Microelectronics