Valence excited states of carbon hydride
By: by George C. Lie.
Published: 1972
Place of publication: Chicago, Illinois, USA
Language: eng
Format: Microform
Number of pages: 196
First sentence: The study of CH radical is both of chemical and astrophysical interest.
Description: Accurate potential curves, to within 0.3 eV relative error between all computed points, for the ground X state and low lying excited a, A, B, C states are determined for a wide range of internuclear distances (from 1.0 bohr to 20.0 bohr) by conventional Configuration Interaction (CI) expansion method, with the results considerably beyond the scope of any previous calculations.  Molecular properties as well as spectroscopic data are obtained and compared with experimental results whenever available.
Notes: Microfilm. Chicago, Ill. : University of Chicago, Joseph Regenstein Library, Dept. of Photoduplication, 1972. 1 microfilm reel ; 35 mm.
Thesis (Ph. D.)--University of Chicago, 1972.
Table of contents: label: 1
pagenum: 1
title: Introduction; label: 2
pagenum: 8
title: Theoretical Consideration; label: 3
pagenum: 18
title: Methods for Obtaining Electronic Wave Functions; label: 4
pagenum: 47
title: Methods for Obtaining Molecular Properties; label: 5
pagenum: 58
title: Results and Discussion; label: 6
pagenum: 101
title: Appendix