Book contents
- Frontmatter
- Contents
- Preface
- List of journal abbreviations
- Part I Foundations of electronic and photoelectron spectroscopy
- Part II Experimental techniques
- Part III Case Studies
- Appendix A Units in spectroscopy
- Appendix B Electronic structure calculations
- Appendix C Coupling of angular momenta: electronic states
- Appendix D The principles of point group symmetry and group theory
- Appendix E More on electronic configurations and electronic states: degenerate orbitals and the Pauli principle
- Appendix F Nuclear spin statistics
- Appendix G Coupling of angular momenta: Hund's coupling cases
- Appendix H Computational simulation and analysis of rotational structure
- Index
- References
Appendix H - Computational simulation and analysis of rotational structure
Published online by Cambridge University Press: 05 June 2012
Book contents
- Frontmatter
- Contents
- Preface
- List of journal abbreviations
- Part I Foundations of electronic and photoelectron spectroscopy
- Part II Experimental techniques
- Part III Case Studies
- Appendix A Units in spectroscopy
- Appendix B Electronic structure calculations
- Appendix C Coupling of angular momenta: electronic states
- Appendix D The principles of point group symmetry and group theory
- Appendix E More on electronic configurations and electronic states: degenerate orbitals and the Pauli principle
- Appendix F Nuclear spin statistics
- Appendix G Coupling of angular momenta: Hund's coupling cases
- Appendix H Computational simulation and analysis of rotational structure
- Index
- References
Summary
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- Information
- Electronic and Photoelectron SpectroscopyFundamentals and Case Studies, pp. 277 - 281Publisher: Cambridge University PressPrint publication year: 2005
References
Numerical Recipes in C++: the Art of Scientific Computing, 2nd edn., W. H. Press, S. A. Teukolsky, W. T. Vettering, and B. P. Flannery, Cambridge, Cambridge University Press, 2002. A version of this book is also available for FORTRAN and Basic programmers
DSParFit, a computer program for least-squares fitting of the rotational structure in spectra of diatomic molecules. Details can be found at the website http://scienide.uwaterloo.ca/~leroy/dsparfit/
SpecView, a program for simulating rotational structure in electronic spectra. This is able to deal with many different types of rotors with closed or open shells. Further details can be found at the following website: http://molspect.mps.ohio-state.edu/goes/specview.html
, a program for the analysis of band spectra in closed-shell asymmetric tops. This program is described in the following article: R. H. Judge and D. J. Clouthier, Computer Physics Communications 135 (2001) 293Google Scholar
Molecular Rotation Spectra, H. W. Kroto, New York, Dover Publications, 1992
Angular Momentum, R. N. Zare, New York, Wiley, 1988
The Spectra and Dynamics of Diatomic Molecules, 2nd edn., H. Lefebvre-Brion and R. W. Field, Academic Press, 2004
Rotational Spectroscopy of Diatomic Molecules, J. M. Brown and A. Carrington, Cambridge, Cambridge University Press, 2003