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Currently, the NumpyEigensolver implements a _eval_aux_operators which evaluates the auxiliary operators on the excited states.
Without much effort and using an equality in the form of Eq. 13 in https://doi.org/10.1103%2Fphysrevresearch.3.023244, we can extend it to evaluate transition amplitudes for the same auxiliary operators between two eigenstates of the Hamiltonian.
This would allow, among other, the evaluation of non-adiabatic couplings between the excited states (see in the same article).
The idea would be to have a static method for two fixed eigenstates:
What should we add?
Currently, the NumpyEigensolver implements a
_eval_aux_operators
which evaluates the auxiliary operators on the excited states.Without much effort and using an equality in the form of Eq. 13 in https://doi.org/10.1103%2Fphysrevresearch.3.023244, we can extend it to evaluate transition amplitudes for the same auxiliary operators between two eigenstates of the Hamiltonian.
This would allow, among other, the evaluation of non-adiabatic couplings between the excited states (see in the same article).
The idea would be to have a static method for two fixed eigenstates:
which would be called by a higher level method for a Dict of pairs (i, j)
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