Accession Number:

AD0669198

Title:

APPLICATION OF THE MULTICONFIGURATION APPROXIMATION TO ATOMIC SPECIES OF CARBON, NITROGEN, AND OXYGEN TYPE (K VOPROSU O PRIMENENII MNOGOKONFIGURATSIONNOGO PRIBLIZHENIYA V SLUCHAE ATOMOV TIPA UGLERODA, AZOTA I KISLORODA),

Descriptive Note:

Corporate Author:

AMERICAN METEOROLOGICAL SOCIETY BOSTON MASS

Personal Author(s):

Report Date:

1966-03-01

Pagination or Media Count:

24.0

Abstract:

The problem examined is the form of the multiconfiguration approximation that should be employed to improve the calculation of atomic species of carbon, nitrogen, and oxygen type. It is shown how to express the elements of the energy matrix with radial integrals when applying the multiconfiguration approximation to a configuration of equivalent electrons on the basis of the model of two-electron states. A way is found to determine the correction to the energy for the multiconfiguration approximation in configurations containing any number of equivalent electrons. This is done with corrections for configurations with two equivalent electrons. Numerical values are given for the ratios of term separations for several atomic species of carbon, nitrogen, and oxygen type as determined by multiconfiguration approximations based on the model of two-electron states. An appendix contains the formulas of quantities from the theory of vector addition of angular momenta that are needed in deriving formulas for certain elements of the energy matrix. Author

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy
  • Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE