Abstract
In this chapter we present oar implementation of the solution to the vibrational problem, giving the eigenfrequencies of vibration, and three types of analysis of normal modes. The exposition is preceded by a summary of the solution of the vibrational equations of motion, formulated in cartesian coordinates. This method, which is most rational for large computers, seems to be taking precedence over the classical Wilson method. It is being used by, among others, Lifson and Warshel (1968) and Gwinn (1971).
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© 1977 Springer-Verlag Berlin · Heidelberg
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Rasmussen, K., Kildeby, K. (1977). Vibrational Calculations. In: The Consistent Force Field. Lecture Notes in Chemistry, vol 3. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93063-8_6
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DOI: https://doi.org/10.1007/978-3-642-93063-8_6
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-08344-3
Online ISBN: 978-3-642-93063-8
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