Accession Number:

AD0706875

Title:

ELECTRONIC STRUCTURE OF ORGANIC MOLECULES AND ORGANIC SEMICONDUCTORS.

Descriptive Note:

Final rept. 1 Jul 67-31 Dec 69,

Corporate Author:

NEW YORK UNIV N Y

Personal Author(s):

Report Date:

1969-12-31

Pagination or Media Count:

51.0

Abstract:

A powerful, flexible system of computer programs was developed for the computation of self-consistent-field wavefunctions for small polyatomic molecules in a gaussian basis. Accurate wavefunctions were computed for water, formaldehyde, and ethylene. A preliminary investigation of the electronic structure of an ethylene dimer in the exciton model was carried out. Author

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE