New Theoretical Model for the Electronic Structures of Polyatomic Molecules and Complex Materials.
Final rept. 1 Feb 69-31 Dec 73,
MASSACHUSETTS INST OF TECH CAMBRIDGE DEPT OF METALLURGY AND MATERIALS SCIENCE
Pagination or Media Count:
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
- Atomic and Molecular Physics and Spectroscopy