THEORETICAL CALCULATION OF THE ELECTRONIC STATES, TOTAL ENERGIES, IONIZATION POTENTIALS AND EXCITATION ENERGIES OF $O_{2}, N_{2}, CO, NO, CN$ AND THE HYDRIDES OF THE FIRST GROUP.

Thumbnail Image

Files

1965-U-12.jpg (96.61 KB)

Date

1965

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

Calculation of the Hartree-Fock Molecular Orbitals in which both the eigenvectors and screening constants of basic atomic orbitals have been varied and made self-consistent are presented in this paper. The calculated ionization potentials and excitation energies are compared with the experimental data. A number of other features of this calculation are presented and compared with the previously reported calculations.

Description

Author Institution: Department of Chemistry, New York University

Keywords

Citation

URI

http://hdl.handle.net/1811/14902

Collections

Abstracts of OSU International Symposium on Molecular Spectroscopy 1960-1969