DIFFERENT ORBITALS FOR DIFFERENT SPINS. SOME RESULTS FOR THE LIH MOLECULE,

Abstract

A trial was made to split the molecular orbital for the valence electrons in the LiH molecule. A comparison of the results obtained by use of a wavefunction that is not a pure spin state function and one which is a pure singlet is made. Some comments on the different spinfunctions are made. The effect of different polarization of the outer Li-electron is discussed. Total energies and dipole moments are computed. Finally some remarks on the use of the virial theorem are made. (Author)

Document Details

Document Type
Technical Report
Publication Date
Jan 15, 1966
Accession Number
AD0634724

Entities

People

  • Peter Lindner

Organizations

  • Uppsala University

Tags

DTIC Thesaurus Topics

  • Dipole Moments
  • Electrons
  • Molecules
  • Polarization
  • Spin States

Fields of Study

  • Physics

Readers

  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics
  • Space