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Adiabatic Internal Force Constant, Mass, and Frequency

DEFINITION OF ADIABATIC INTERNAL FORCE CONSTANT, MASS, AND FREQUENCY [Pg.271]

Once vector Vn that determines the movement of the molecule under the influence of parameter qn is known, one can define a force constant, that corresponds to such a motion, by inserting (30) into the expression for the potential energy of the molecule in the harmonic approximation  [Pg.271]

It has been shown [18] that defining an internal mass Mn associated with the internal vibration Vn by [Pg.271]

Therefore, one has to proceed in a different way to find a typical mass mn that opposes any change in the internal parameter qn- In this connection, two conditions should be fulfilled. First, the mass mn should be extractable from the functional form of the internal coordinate qn- Secondly, mn should be directly connected to the vibrational motion Vn caused by a change in qn- [Pg.272]

To fulfil these two conditions, one has to ask how the atoms of the molecule have to move so that the kinetic energy adopts a minimum and the generalized [Pg.272]




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Adiabatic constant

Adiabatic force constant

Adiabatic frequencies

Adiabatic mass

Constant mass

Force constant

Frequencies and Force Constants

Internal forces

Internal frequency

Mass force

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