CORRELATION SPLITTING IN THE HYDROGEN MOLECULE

Abstract

The difference between the energy of the best open shell and best closed shell wave functions for the H molecule were calculated for various values of the internuclear distance. Both left-right and in-out correlated functions were considered. The relative importance of the type of correlation reverses at an internuclear distance of 0.8 Bohrs. (Author)

Document Details

Document Type
Technical Report
Publication Date
Mar 14, 1962
Accession Number
AD0274631

Entities

People

  • Ernest R. Davidson
  • Leon L. Jones

Organizations

  • University of Wisconsin–Madison

Tags

DTIC Thesaurus Topics

  • Elements
  • Functions (Mathematics)
  • Hydrogen
  • Molecules
  • Splitting
  • Wave Functions

Fields of Study

  • Physics

Readers

  • Plasma Physics / Magnetohydrodynamics
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.