ELECTRONIC COMPUTER CALCULATIONS ON SIMPLE POLYATOMIC MOLECULES.
Abstract
A summary is given of work which included three and four center integral algorithms; a mathematical study of the shape of H3(+); the excited states of Li H, BeH(+); a geminal computation on H202; and research on density matrices and natural orbitals.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1967
- Accession Number
- AD0685133
Entities
People
- Harrison Shull
Organizations
- Indiana University Bloomington