Accession Number:

AD0711973

Title:

QUANTUM MECHANICAL CALCULATIONS OF LIGHT METAL DIATOMIC HYDRIDES, OXIDES AND HALIDES.

Descriptive Note:

Semi-annual technical rept. 1 Jun-31 Dec 69,

Corporate Author:

CHICAGO UNIV ILL DEPT OF CHEMISTRY

Report Date:

1969-12-31

Pagination or Media Count:

16.0

Abstract:

The report very briefly summarizes research concerning wave functions incorporating electron correlation for MgO, LiO, AlO, and TiO. A computer program was developed to determine vibrational f-numbers or absolute band intensities from the ground state dipole moments for these systems. Continued studies evaluated and demonstrated the physical reality of SCF calculations by applying them to electron-atom collision problems and comparison with results of independent calculations and experiments. Author

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE