Calculation of Electronic Wavefunctions.
Abstract
Calculations have been performed for band-to-band transition probabilities. The molecules under study were CuO, CrO, NiO, ThO and ThO(+). Electronic wave-functions have been constructed for selected states of these molecules and expectation values of the electronic energy and electric dipole transition moments have been calculated. The calculated electric dipole transition moments were combined with numerical vibrational-rotational wavefunctions, based on RKR potential functions, to yield estimates of the system f-numbers.
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 01, 1975
- Accession Number
- ADA015428
Entities
People
- H. Harvey Michels
Organizations
- United Technologies Corporation