LoggerTodd Posted July 16, 2015 Share Posted July 16, 2015 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. Link to comment Share on other sites More sharing options...
Enthalpy Posted July 17, 2015 Share Posted July 17, 2015 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. Link to comment Share on other sites More sharing options...
swansont Posted July 17, 2015 Share Posted July 17, 2015 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. Link to comment Share on other sites More sharing options...
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