Rotation-free bond polarizability tensor

In this equation ax(v) is the atomic polarizability tensor free from any rotational contribution. Its elements are, however, still interrelated through the dependency condition (9.84). The problem can be solved if a set of bond displacement coordinates [Eqs. (4.96) and (4.97)] instead of atomic displacement coordinates is used. A rotation-free bond polarizability tensor is defined as... 

Finally, die rotation-free bond polarizability tensor is evaluated with the aid of Eq. (9.101) (in units of 10 30 C.m/Y) ... 

In diis section a method for interpretation of Raman intensities based on further transformations of atomic polarizability tensors is presented. The formulation was recently proposed by Ehidev and Galabov [333], A new molecular quantity - effective induced bond charge, Ok introduced. The effective induced bond charges are obtained from rotation-free atomic polarizability tensors following the strate as outlined by Galabov, Dudev and nieva [146] in the infrared case (Section 4.IV). The Ok parameters are expected to be associated with polarizability properties of valence bonds. 

---

See also in sourсe #XX -- [ ]

---