GROUP THEORY SYMBOL

GTVibSpectroscopy

GTVibSpectroscopy[vibrational modes, character table]
GTVibSpectroscopy

DetailsDetails

  • The following options can be given:
  • GOVerboseFalseControls output of additional information
    GOSpecMode"Raman"Controls type of spectroscopy
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 13.1.3.

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Set the directory to read the database.

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Get the data for Xenontetrafluoride.

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XeF4 is a planar molecule.

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Perform the decomposition of the displacement representation .

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Install the group D4h and calculate the character table.

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The Raman active modes are calculated in the standard setting.

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Options  (2)Options  (2)

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