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InteractionRDM.rotate_basis rotates incorrectly?

Open ncrubin opened this issue 5 years ago • 3 comments

It looks like InteractionRDM.rotate_basis calls the same PolynomialTensor routine as rotate_basis on InteractionOperator. RDM rotation should be

opdm = of.general_basis_change(opdm, v, (0, 1))
tpdm = of.general_basis_change(tpdm, v, (0, 0, 1, 1))

and not

opdm = of.general_basis_change(opdm, v, (1, 0))
tpdm = of.general_basis_change(tpdm, v, (1, 1, 0, 0))

I guess the informed user will notice the first set of code is equivalent to

rdms.rotate_basis(v.conj())

ncrubin avatar Jun 04 '20 23:06 ncrubin

(I'm going around and checking issue statuses.) @ncrubin this issue is old enough that things might have changed since it was opened. Could you let me know if it is still relevant?

mhucka avatar Aug 30 '25 21:08 mhucka

@ncrubin Gentle ping …

mhucka avatar Oct 03 '25 20:10 mhucka

AFAIK it is still an issue

ncrubin avatar Oct 03 '25 20:10 ncrubin