ELECTRONIC STRUCTURE OF ORGANIC MOLECULES AND ORGANIC SEMICONDUCTORS.
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)
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 30, 1967
- Accession Number
- AD0661280
Entities
People
- Jules W. Moskowitz
Organizations
- New York University