Collisonal Energy Transfer between Electrons, Atoms, and Molecules.
Abstract
Electron-excitation cross sections of various states of the sodium atom were calculated by using a multi-state close coupling scheme in order to obtain more accurate cross sections than the Born approximation. To facilitate computations of the collision-related problems involving molecules, a scheme of expressing atomic and molecular wave functions in terms of the Gaussian-type orbitals (GTO) is adopted. Based on this scheme a computer program is developed to obtain self-consistent-field (SCF) wave functions as well as other numerical techniques. This program was used to calculate (1) electron-impact excitation cross sections of 12 electronic states of the N2 molecule and of 6 electronic states of the CO molecule; (2) wave functions and energy levels of the ground electronic state of the NO(+) ion and of 4 electronic states of the NO molecule for three different internuclear distances; (3) ab initio rate constants of two energy transfer reactions.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 27, 1973
- Accession Number
- AD0772645
Entities
People
- Chun C. Lin
- Sunggi Chung
Organizations
- University of Wisconsin Madison Department of Physics