drjuls / AMBiT

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Reduced Matrix Elements #7

Closed emilyviolet closed 7 years ago

emilyviolet commented 8 years ago

Added command line option to print the reduced transition matrix elements instead of the default transition line strengths. Whether or not to print the reduced matrix elements can be declared separately for each transition type by passing in the --ReducedMatrixElems flag in that transition types section. For example:

[Transitions] E1/--ReducedMatrixElems E1/AllBelow = -2.0 E2/--ReducedMatrixElems E2/AllBelow = -2.0 M1/AllBelow = -2.0

will print the reduced matrix elements for E1 and E2 transitions, but will print the transition line strengths for M1 transitions.

This feature is necessary to use results from AMBiT's CI routines in atomic polarisability and photon-atom scattering calculations. These methods require the sign information contained in the ``plain'' reduced transition matrix elements which are lost when calculating the transition line strengths.