manual   quickstart   instguide   update   basis

Next: 16.9 Miscellaneous directives Up: 16 THE SCF PROGRAM Previous: 16.7 Expectation values   Contents   Index   PDF

16.8 Polarizabilities

POLARIZABILITY[, $oper_1,oper_2,\ldots,oper_n$]

Calculates polarizabilities for the given operators $oper_1$, $oper_2$, $\ldots$, $oper_n$.. See section 6.13 for the available operators. If no operators are specified, the dipole polarizabilities are computed.

Presently, this is working only for closed-shell without direct option.

The polarizabilities are stored in the variables POLXX, POLXY, POLXZ, POLYY, POLYZ, POLZZ. 2018-06-19