
Diatomic v 2.1  Quantum Mechanics In the Quantum
Mechanics window, Diatomic can
Diatomic treats translation for a molecule confined to an adjustablesized one or twodimensional "box." It treats rotation using the rigid rotor model and displays rotational wave functions using threedimensional color maps. For vibration, Diatomic solves the SchrÃ¶dinger equation analytically for Morse or harmonic potential energies and numerically for another other vibrational potential. The screen image below shows the real part of the rotational wave function for a diatomic molecule with rotational quantum numbers J = 7 and J_{z} = 4. The red areas show angles where the wave function has positive values while the blue areas represent negative values. 
