Accession Number:

AD0261910

Title:

THE CHEMICAL BOND IN MOLECULAR QUANTUM MECHANICS

Descriptive Note:

Corporate Author:

INDIANA UNIV BLOOMINGTON THEORETICAL CHEMISTRY LAB

Personal Author(s):

Report Date:

1961-07-01

Pagination or Media Count:

1.0

Abstract:

IT IS POSTULATED THAT A PROPERLY ANTISYMMETRIZED PRODUCT FUNCTION OVER GEMINALS electron-pair wave functions is adequate for discussion of the principal chemical properties of molecules. By application of the virial theorem, it is shown that such a wave function has both of the properties essential to the bond energy concept namely a the energy of a molecule is the sum of the energies of its individual bonds and b the bond energies are invariant from one molecule toANOTHER. Within the framework of this approximation, bond energies become identified in magnitude with the kinetic energies associated with the respective geminals. The concepts are sufficiently general to include both localized and non-localized bonds, unshared electron pairs, odd electrons, and states of various multiplicities. Author

Subject Categories:

Distribution Statement:

APPROVED FOR PUBLIC RELEASE