New Theoretical Model for the Electronic Structures of Polyatomic Molecules and Complex Materials.

Abstract

The development of the SCF-X alpha 'scattered-wave' method of calculating the electronic structures of polyatomic molecules and complex solids is described. Details of the theory and computational procedure are presented along with a comprehensive summary of applications. (Author)

Document Details

Document Type
Technical Report
Publication Date
Feb 15, 1974
Accession Number
AD0777189

Entities

People

  • Keith H. Johnson

Organizations

  • Massachusetts Institute of Technology

Tags

DTIC Thesaurus Topics

  • Molecules
  • Polyatomic Molecules

Fields of Study

  • Chemistry
  • Physics

Readers

  • Quantum Chemistry
  • Technical Research and Report Writing.

Technology Areas

  • Microelectronics