Atomic / molecular data base format
atomic physics API - hide all atomic / molecular details below an api
see newmole for examples
hazy, various problems, index, how is it used
findspecies accessing ions, other chemical species and states
how to specify species
Isotopes e.g. ^13CO to specify
how to specify states
Uniquely identify iTransitions need to be between named states -- state names can be made unique by including quantum indices or by index numbers from data source -- in the latter case, need to include the data source in the name of the state (including versioning info), otherwise you don't know what the index actually means when third party data sources change
E.g.
CO{n=1,v=2,j=3} or CO{index=10,src="lamda1.1"}
The Chianti energy file seems to be the most flexible. Lambda only does ground vibration and electronic states. Chianti can do all states. H2, HD, CN are not now in lambda, so we are our own in any case. Create new energy files in the Chianti format? Transform H2 into Chianti format?
how to specify bound-bound transitions
initial and final states
how to specify bound-continuum transitions
initial state, incident photon energy, return cross section
specify product, dissociation vs ionization
TOPBase is an example for atoms. This is for LS systems so problems with mixed parentage do not occur.
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