prefactor_opa¶
- psi4.driver.p4util.prefactor_opa()[source]¶
Prefactor for converting microscopic observable to decadic molar extinction coefficient in one-photon absorption.
Notes
This function implements the calculation of the following prefactor:
The prefactor is computed in SI units and then adjusted for the fact that we use atomic units to express microscopic observables: excitation energies and transition dipole moments. The refractive index
is, in general, frequency-dependent. We assume it to be constant and equal to 1.- Return type: