THE TWO-ELECTRON HOMOPOLAR CHEMICAL BOND HYDROGEN. Technical Note No. 17

Technical Report · Mon Sep 15 04:00:00 EDT 1958

OSTI ID:4188593

Shull, H

The correlation energy of the hydrogen molecule is considered as related to the He atom and to the infinitely separated atoms. and it is shown that one can obtain a consistent qualitative picture of the electron-electron interaction in the molecular bend in this way. Previous approximate wave functions for hydrogen are analyzed quantitatively into approximate natural spin orbital iunctions with particular attention to the corresponding occupation numbers. The analysis demonstrates the similarity of all such trial wave functions, the largely molecular orbital nature of the wave function, the similarity between the molecular orbital and valence bend functions, and the necessity for allowing for angular correlation of the electrons. The analysis shows that the concepts of covalent and ionic character, at least as appiied to the two-electron homopolar chemical bond, have no real significance and should be abandoned. (auth)

• Research Organization: Uppsala Univ.
• NSA Number: NSA-14-010370
• OSTI ID: 4188593
• Report Number(s): AD-211742
• Country of Publication: United States
• Language: English

Related Subjects

ATOMS
BINDING ENERGY
BONDING
CHEMISTRY
ELECTRONS
HELIUM
HYDROGEN
INTERACTIONS
MOLECULES
SPIN