Abstract
Response functions and susceptibilities through third order have been developed. Geometrical derivatives relevant for Raman- and hyper-Raman spectroscopy are obtained. The derivatives of one- and two- photon transition matrix elements are derived. Direct MCSCF techniques can be invoked to calculate the derivatives.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
M.D. Levenson, “Introduction to Nonlinear Laser Spectroscopy” (Academic Press, New York, 1982)
W. Kiefer and D. A. Long (Eds.), “Nonlinear Raman Spectroscopy and its Chemical Applications” (Dordrecht, Holland, 1982).
L. Goodman and R.P. Rava, Advan. Chem. Phys. 54, 177 (1983).
J. Olsen and P. Jørgensen, J. Chem. Phys. 82, 3235, 1985.
J. Simons, P. Jørgensen, and T. U. Helgaker, Chem. Phys. 86, 413 (1984), and references therein.
D. N. Zubarev, “Nonequllibrium Statistical Thermodynamics” (Consultant Bureau, Plenum, New York, 1974).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1986 D. Reidel Publishing Company
About this chapter
Cite this chapter
Olsen, J. (1986). Geometrical Derivatives of Frequency-Dependent Properties. In: Jørgensen, P., Simons, J. (eds) Geometrical Derivatives of Energy Surfaces and Molecular Properties. NATO ASI Series, vol 166. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4584-5_12
Download citation
DOI: https://doi.org/10.1007/978-94-009-4584-5_12
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-8537-3
Online ISBN: 978-94-009-4584-5
eBook Packages: Springer Book Archive