Derivation of dynamic electric and magnetic response properties based on the quasienergy derivative method

Abstract

We present a response theory based on the quasienergy derivative (QED) method in which not only the electric dipole interaction but also the magnetic dipole and diamagnetic interactions are considered as interactions between a (spin- and orbit-nondegenerate) molecular system and a time-dependent electromagnetic field. The QED method-based systematic derivation of dynamic electric and magnetic response properties in an exact theory and two approximate models (time-dependent Hartree-Fock (TDHF) and (orbital-nonrelaxed) coupled-cluster (CC) theories) is shown. Among dynamic electric and magnetic response properties, we present the explicit derivation of electric dipole-magnetic dipole polarizability ( ${\mathit{G}}_{\mathit{A}\mathrm{,}\mathit{E}}\mathrm{(}-{\mathit{\omega }}_1;{\mathit{\omega }}_1\mathrm{)}$ ), magnetizability ( ${\mathit{\chi }}_{\mathit{E}\mathit{F}}\mathrm{(}-{\mathit{\omega }}_1;{\mathit{\omega }}_1\mathrm{)}$ ), and hypermagnetizability ( ${\mathit{\eta }}_{\mathit{A}\mathit{B}\mathrm{,}\mathit{E}\mathit{F}}\mathrm{(}-{\mathit{\omega }}_{\mathit{\sigma }};{\mathit{\omega }}_1\mathrm{,}{\mathit{\omega }}_2\mathrm{,}{\mathit{\omega }}_3\mathrm{)}$ ).