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

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