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 ($G_{A,E}(-ω_1;ω_1)$), magnetizability ($χ_{EF}(-ω_1;ω_1)$), and hypermagnetizability ($η_{AB,EF}(-ω_σ;ω_1,ω_2,ω_3)$).
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More From: Journal of Computational Methods in Sciences and Engineering
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