ELECTRONIC STRUCTURE OF ORGANIC MOLECULES AND ORGANIC SEMICONDUCTORS.

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)

Document Details

Document Type
Technical Report
Publication Date
Dec 31, 1969
Accession Number
AD0706875

Entities

People

  • Jules W. Moskowitz

Organizations

  • New York University

Tags

DTIC Thesaurus Topics

  • Alkenes
  • Chemical Compounds
  • Compound Semiconductors
  • Computations
  • Computer Programs
  • Computers
  • Electronics
  • Ethylenes
  • Formaldehyde
  • Molecules
  • Organic Compounds
  • Polyatomic Molecules
  • Semiconductors
  • Solid State Electronics

Fields of Study

  • Chemistry

Readers

  • Computer Science.
  • Quantum Chemistry

Technology Areas

  • Microelectronics