Abstract
The basis of being able to work with molecular vibrations quantum mechanically is the Born—Oppenheimer approximation. As a consequence of this approximation, the electronic and nuclear wave functions and energies can be separated:
where the nuclear motion was further separated into vibrations, rotations, and translations.
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Suggested Reading
Califano, S., Vibrational States. Wiley, New York, 1976. This is an excellent book about molecular vibrations.
Császár, A. G., “Anharmonic Molecular Force Fields”, in Encyclopedia of Computational Chemistry. P. v. Schleyer, ed. Wiley, Chichester, 1997. This is an excellent survey of anharmonic calculations.
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Herzberg, G., Molecular Spectra and Molecular Structure, Vol. II. Infrared and Raman Spectra of Polyatomic Molecules. Krieger, Malabar, 1991. This is a fundamental reference book on vibrational spectroscopy, covering everything from elementary to highly advanced material.
Hollas, J. M., High Resolution Spectroscopy. Butterworths, London, 1982. This is a comprehensive survey of the theory of different areas of molecular spectroscopy.
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Wilson, E. B., Jr., and D. R. Hershback, editors, Molecular Symmetry, Structure and Spectra. Selected Papers of E. B. Wilson. World Scientific Publ., Singapore, 1997. This is a reprint of 40 papers spanning areas related to molecular vibrations.
Scott, A. R, and L. Radom, J. Phys. Chem. 100, 16502–16513 (1996). Contains vibrational frequency calculations and scaling factors at the HF, MP2, QCI, DFT, and semiempirical levels.
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© 1999 Springer Science+Business Media New York
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Veszprémi, T., Fehér, M. (1999). Vibrational Frequencies. In: Quantum Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4189-9_11
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DOI: https://doi.org/10.1007/978-1-4615-4189-9_11
Publisher Name: Springer, Boston, MA
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