------------------------------------------------------------------------ Computing the spectroscopic terms for a given set of valence electrons ------------------------------------------------------------------------ There are four shell scripts Generate2Electrons Generate3Electrons FindHighestTerm RemoveOrbital [-] First make them executables $ chmod +x Generate2Electrons #and so on [-] Next generate the micro states for a given angular momentum (l) #l=0,1,2,3,.. for s,p,d,f,.. $ ./Generate2Electrons l #two electrons or $ ./Generate3Electrons l #three electrons In either case the outputs Microstates.txt (table of ml1,ms1,ml2,ms2,...) LS.txt (table of ML,MS) LS_Master.txt VERSION (set to 1 at start) Microstates.txt and LS_Master.txt are for reference. LS.txt will be used as a "working file". # Find spectroscopic term with highest L and associated states # Write the microstates to output file Orbital_n.txt # Delete these microstates from LS.txt $ ./FindHighestLTerm;./RemoveOrbital # Review the messgae # Repeat previous step until no more microstates left. # Review the Orbital_n.txt files