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

被引:0
|
作者
Kobayashi, Takao [1 ]
Sasagane, Kotoku [2 ]
Yamaguchi, Kizashi [1 ]
机构
[1] Osaka Univ, Grad Sch Sci, Dept Chem, Toyonaka, Osaka 5600043, Japan
[2] Shinshu Jr Coll, Dept Business Adm, Nagano 3850022, Japan
关键词
D O I
10.3233/jcm-2006-65-611
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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 (spinand 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)(-omega(1);omega(1))), magnetizability (XEF (-omega(1);omega(1))), and hypermagnetizability (eta(AB),EF (-omega(sigma);omega(1),omega(2),omega(3))).
引用
收藏
页码:397 / 427
页数:31
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