To whom it may concern,
When I tried to compute molecular polarizability using MP2 theory, PSI4 gave me an error saying that polarizability is not supported with MP2. Is there a way to get polarizability with MP2? I have attached the code snippet using PSI4 python api:
import psi4
import os
psi4.core.set_output_file('polarizability.dat', False)
psi4.set_memory('60 GB')
psi4.core.set_num_threads(6)
water_geom = """
0 1
O 0.000000000000 0.000000000000 0.000103995852
H 0.756887099074 0.000000000000 0.588710002074
H -0.756887099074 -0.000000000000 0.588710002074
no_reorient
units ang
no_com
"""
psi4.set_options({'basis':'aug-cc-pVTZ',
'scf_type': 'df'})
water = psi4.geometry(water_geom)
psi4.properties('mp2', properties=['polarizability'], molecule=water)
The error I received is
OEProp: Feature ‘POLARIZABILITY’ is not recognized.
Thank you!
Moses