THE TWO-ELECTRON HOMOPOLAR CHEMICAL BOND HYDROGEN. Technical Note No. 17
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.
- DOE Contract Number:
- AF61(514)-1200
- NSA Number:
- NSA-14-010370
- OSTI ID:
- 4188593
- Report Number(s):
- AD-211742
- Resource Relation:
- Other Information: Orig. Receipt Date: 31-DEC-60
- Country of Publication:
- United States
- Language:
- English
Similar Records
SOME ASPECTS ON THE RECENT DEVELOPMENT OF THE THEORY OF THE ELECTRONIC STRUCTURE OF ATOMS. Technical Note No. 27
APPROXIMATE ANALYTICAL WAVE FUNCTIONS FOR THE 1sns $sup 1$S STATES OF He and He-LIKE IONS. Technical Note No. 31