Quantum transition software

[LoggerTodd]

Hi I am new here.

Is there any software available that can compute quantum level transitions?

For example:

I input the line spectra values of an element and it would compute all the transitions for me.

[Enthalpy]

Hi LoggerTodd, welcome here!

 

If you input all the energy elevels (there are many!) of an element, just a matrix of the differences will tell you the transitions of this element (in the same state, for instance lone atoms). A spreadsheet can do that. It's rather the other way (spectrum to energy levels) that was historically difficult, hi Bohr and the others.

 

One must add some selection rules to filter out the forbidden transitions. This can be done simply from the quantum numbers of the energy levels.

 

Is that more or less your query?

 

Tables of transitions exist as well. Not for every compound, but for the elements certainly. Maybe in the Handbook of Chemistry and Physics.

[swansont]

 

Tables of transitions exist as well. Not for every compound, but for the elements certainly. Maybe in the Handbook of Chemistry and Physics.

 

Also a NIST database

http://www.nist.gov/pml/data/asd.cfm

 

But a program that calculates the transitions? Probably not. I don't think you can solve for anything but Hydrogen, and even then the Schrödinger equation leaves out some of the structure.