There is an example in the psi4/samples directory on github named scf-response1. I installed Psi4 1.1 binary using Conda and other examples work. First of all i get the error
NameError: name ‘properties’ is not defined
when changing to ‘properties’ to ‘prop’ then
ValidationError: OEProp: Feature ‘DIPOLE_POLARIZABILITIES’ is not recognized
I would want to do these kinds of response calculations, especially for some correlated method like DF-MP2 or CC2.
Are these features not implemented or am I doing something wrong?
I think you need to update your psi4 as this problem was fixed by Daniel Smith via this pull request.
There is no density-fitted linear response code right now in psi4 but DF-CC2 linear
response is surely in our TODO list. However, you could run the conventional
CC2 response, checkout this and this for an example.
Do I need to clone Psi4 from github to get those/such changes? Seems like there are no conda updates for Psi4. Are the quadrupole polarizabilities only implemented for scf at this point?