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Vibrational Calculations

  • Kjeld Rasmussen
  • Klavs Kildeby
Part of the Lecture Notes in Chemistry book series (LNC, volume 3)

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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Copyright information

© Springer-Verlag Berlin · Heidelberg 1977

Authors and Affiliations

  • Kjeld Rasmussen
  • Klavs Kildeby

There are no affiliations available

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