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Handling of degenerate states (it variable) needs some general though.
Currently:
Select or keep it dim working OK in general, but may lead to accidental dropping or neglect of degenerate components.
For AFBLMs using tensor formalism (see GeomFunc todo & tidy-up #26 ), may have phase issues with it>1, resulting in -ve cross-sections (or null values if summed over), although betas seem correct (only tested for N2 orb6/pig case so far). Not yet sure if this is issue in formalism (missing phase or rotation?), assumptions or numerics. Quick fix might be to just set degeneracy factor here?
The text was updated successfully, but these errors were encountered:
Handling of degenerate states (
it
variable) needs some general though.Currently:
it
dim working OK in general, but may lead to accidental dropping or neglect of degenerate components.it
>1, resulting in -ve cross-sections (or null values if summed over), although betas seem correct (only tested for N2 orb6/pig case so far). Not yet sure if this is issue in formalism (missing phase or rotation?), assumptions or numerics. Quick fix might be to just set degeneracy factor here?The text was updated successfully, but these errors were encountered: