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 areLENGTH
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 ofVELOCITY
orBOTH
will yield origin-independent results.
Type: string
Possible Values: LENGTH, VELOCITY, BOTH
Default: VELOCITY