Computing Polarizability Using MP2 Theory

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')


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

units ang

                  'scf_type': 'df'})

water = psi4.geometry(water_geom)'mp2', properties=['polarizability'], molecule=water)

The error I received is

OEProp: Feature ‘POLARIZABILITY’ is not recognized.

Thank you!


No, MP2 polarizabilities are not implemented, to my knowledge.

Frequency-dependent polarizabilities at the MP2 level of theory are not uniquely defined. Static MP2 polarizabilities, however, could be computed using a finite-approach, because they are just energy second derivatives with respect to an electric field.