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


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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