Skip to main content

We use cookies to distinguish you from other users and to provide you with a better experience on our websites. Close this message to accept cookies or find out how to manage your cookie settings.

Close cookie message
Cancel
×
×
Home
  • Home
Chapter
  • Print publication year: 2005
  • Online publication date: June 2012

Appendix B - Electronic structure calculations

Export citation
Recommend this book

Email your librarian or administrator to recommend adding this book to your organisation's collection.

Electronic and Photoelectron Spectroscopy
  • Online ISBN: 9781139165037
  • Book DOI: https://doi.org/10.1017/CBO9781139165037
Please enter your name
Please enter a valid email address
Who would you like to send this to *

CAPTCHA *

Skip to the audio challenge
×
References
Pyykkö, P., Chemical Reviews 88 (1988) 563
A New Dimension to Quantum Chemistry. Analytical Derivative Methods in Ab Initio Molecular Electronic Structure Theory, Y. Yamaguchi, Y. Osamura, and H. F. Schaefer III, Oxford, Oxford University Press, 1994
Simons, J., Journal of Physical Chemistry 95 (1991) 1017
Hohenberg, P. and Kohn, W., Phys. Rev. B 136 (1964) 864
Further reading
Ab Initio Molecular Orbital Calculations for Chemists, W. G. Richards and D. L. Cooper, Oxford, Oxford University Press, 1985
A Computational Approach to Chemistry. D. M. Hirst, Oxford, Blackwell Scientific, 1990
Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, A. Szabo and N. S. Ostlund, New York, Dover Publications, 1996
Quantum Chemistry, 5th edn., I. N. Levine, New Jersey, Prentice Hall, 1999
Quantum Chemistry: Fundamentals to Applications, T. Veszpremi and M. Feher, Dordrecht, Kluwer, 1999
Essentials of Computational Chemistry, C. J. Cramer, Chichester, Wiley, 2002
Computational Molecular Spectroscopy, P. Jensen and P. R. Bunker (eds.), Chichester, Wiley, 2000
Cancel
Confirm
×