Software developed by us
Rovib solves the rovibrational Schrodinger equation for a diatomic molecule numerically.
It also provides a graphical representation of the energy levels and the corresponding wavefunctions.
A sample screenshot for molecular hydrogen is given below.
To obtain the calculated energies and wavefunctions for H2 click here.
The executable files can be downloaded here and a copy of the code is provided upon request.
Atosta provides the wavefunctions of all atomic states generated by a specific electronic configuration.
For example, a p2 configuration will give three electronic terms 3P, 1D, 1S.
A sample screenshot for 1D (ML=0) is shown below:
To ask for a copy feel free to send me an e-mail message.
Department of Chemistry
and Biochemistry
