GAUGE


Specifies the choice of representation of the electric dipole operator. For polarizability, this keyword is ignored and LENGTH gauge is computed. For optical rotation and raman optical activity, this keyword is active, and acceptable values are LENGTH for the usual length-gauge representation, VELOCITY``(default) for the modified velocity-gauge representation in which the static-limit optical rotation tensor is subtracted from the frequency- dependent tensor, or ``BOTH. Note that, for optical rotation and raman optical activity calculations, only the choices of VELOCITY or BOTH will yield origin-independent results.

  • Type: string
  • Possible Values: LENGTH, VELOCITY, BOTH
  • Default: VELOCITY