THE EXACT EXPANSION OF THE ELECTRONIC ENERGY OF ONE-ELECTRON DIATOMIC MOLECULES IN POWERS OF THE INTERNUCLEAR SEPARATION,

Abstract

The exact expansion of the electronic energy of the ground state of one-electron diatomic molecules through the fourth order in powers of the internuclear separation is derived by using the methods introduced by Hylleraas (1931). It is thereby shown that the straightforward perturbation treatment of the electronic energy of molecules based on the united atom as given by Bingel (1959) leads to incorrect results for the third order coefficient. The exact fourth order coefficient is checked by using the Hellmann-Feynman theorem to relate the expansion to the well known formula for the electrostatic potential due to a hydrogen-like atom. (Author)

Document Details

Document Type
Technical Report
Publication Date
Sep 23, 1963
Accession Number
AD0421174

Entities

People

  • Erich Steiner
  • W. Byers Brown

Organizations

  • University of Wisconsin–Madison

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Atoms
  • Coefficients
  • Diatomic Molecules
  • Electrons
  • Ground State
  • Hydrogen
  • Molecules
  • Perturbations

Fields of Study

  • Physics

Readers

  • Calculus or Mathematical Analysis
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics