Open shoyer opened 11 years ago
Note the improvements list from _third_order_response
:
This is a reasonable first draft. However, there are definitely some significant possible improvements in computational efficiency:
commutator
method of each dipole operator, we
could use the left_multiply
or right_multiply
methods, based on
whether the dipole operator is of creation or annihilation type (as
determined by geometry
) and whether the change in the density matrix
is on the left or right sides (as indicated in
THIRD_ORDER_PATHWAYS
). Every right multplication would require a
matching multiplication by -1. This book-keeping, however, would not
save us any time in the integration steps (which are the probably the
most expensive part of the calculation). But something like this might
be necessary to implement (1), in which case it would be worth it.It's probably worth adding a two_dimensional_spectra
function that incorporates (1) and automatically does the appropriate wrapping with fourier_transform
.
We should be able to calculate photon-echo types experiments, both with response function and equation of motion based methods.