Overlaps of Trial Functions for the Hydrogen Molecule. II. Covalent and Ionic Character of H2

1 January 1955

journal article
research article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 23 (1) , 176-178
https://doi.org/10.1063/1.1740522

Abstract

The mutual overlaps of some of the trial functions for the hydrogen molecule are presented and their relation to the covalent and ionic character of the bond are discussed. Difficulties involved in the definition of covalent and ionic as orthogonal components of wave functions are pointed out and contour maps indicating the shapes of some of the functions discussed are given.

Keywords

TRIAL FUNCTIONS
HYDROGEN MOLECULE
COVALENT
MAPS INDICATING
FUNCTIONS DISCUSSED
MUTUAL OVERLAPS
CONTOUR MAPS
WAVE FUNCTIONS
DIFFICULTIES INVOLVED

This publication has 1 reference indexed in Scilit:

Note on Orthogonal Atomic Orbitals
The Journal of Chemical Physics, 1951