- #1
christianjb
- 529
- 1
Hi,
I'm looking to numerically solve the rotational Schrodinger eqn. for a molecule which I'm happy to treat as an internally rigid body.
The molecule will be in an external potential, so it's not a free rotor.
Does anyone have any advice or references for an easy derivation of
the K.E. operator? The rigid rotor page on Wikipedia has a derivation in terms of Euler angles, which I can maybe just about follow. Is this a good way to do this problem?
Also, is the solution analytic for the general asymmetric top? If so- I'd like to form basis functions from the free rotor solutions.
Thanks in advance for any help.
I'm looking to numerically solve the rotational Schrodinger eqn. for a molecule which I'm happy to treat as an internally rigid body.
The molecule will be in an external potential, so it's not a free rotor.
Does anyone have any advice or references for an easy derivation of
the K.E. operator? The rigid rotor page on Wikipedia has a derivation in terms of Euler angles, which I can maybe just about follow. Is this a good way to do this problem?
Also, is the solution analytic for the general asymmetric top? If so- I'd like to form basis functions from the free rotor solutions.
Thanks in advance for any help.