I Internal rotation kinetic energy operator

[Konte]

Hello everybody,

My question today is:
Given a molecule that has an internal degree of liberty ( let's take the ethane molecule with its internal rotation as an example), how to write the kinetic energy operator by means of the corresponding internal coordinate?

Thank you guys.

Konte

 

[DrClaude]

It depends on the internal degree of freedom. Rotation of polyatomic molecules involves angular momenta operators along each of the principle axes of inertia, usually rewritten in terms of the total angular momentum operator.

See, e.g., http://tiger.chem.uw.edu.pl/staff/tania/WykladyBJ/Wyklad_ENG_9.pdf

 

[Konte]

It depends on the internal degree of freedom. Rotation of polyatomic molecules involves angular momenta operators along each of the principle axes of inertia, usually rewritten in terms of the total angular momentum operator.

See, e.g., http://tiger.chem.uw.edu.pl/staff/tania/WykladyBJ/Wyklad_ENG_9.pdf

Thank you for answer.