TECHNICAL REPORT 1965,
Abstract
This is a collection of related, but independent theoretical and experimental studies concerned with the electronic structure of atoms and molecules. Theory and results for the dipole polarizabilities are given for closed shell atoms. Hartree-Fock wave functions are given for certain states of Cu, Cu(+), K(+), K and Ca and very accurate wave functions and energetic quantities for H2 are presented. A lengthy paper on Rydberg states of molecules, certain extended Hartree-Fock results for Li2 and H2, and one-center calculations for NH3, NH, and H(3+) are also given. A series of papers on the spectra of He2 with identification and characterization of new states is given. Several papers relating to the interpretation of special difficulties in molecular spectra are presented and finally there are three papers on molecular complexes and their spectra.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 31, 1965
- Accession Number
- AD0483269
Entities
People
- Clemens C. J. Roothaan
- Robert S. Mulliken
Organizations
- University of Chicago