Accession Number:

AD0661280

Title:

ELECTRONIC STRUCTURE OF ORGANIC MOLECULES AND ORGANIC SEMICONDUCTORS.

Descriptive Note:

Final rept. 12 Feb 64-30 Jun 67,

Corporate Author:

NEW YORK UNIV N Y

Personal Author(s):

Report Date:

1967-06-30

Pagination or Media Count:

18.0

Abstract:

Accurate self-consistent-field functions were computed for several small polyatomic molecules, including benzene, in a basis of Gaussian functions. All multicenter molecular integrals were calculated and the core electrons explicitly included. This work represents the first step in the theoretical study of the electronic structure of molecular crystals. Author

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy
  • Solid State Physics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE