Extension of the Genkin and Mednis treatment for dynamic polarizabilities and hyperpolarizabilities of infinite periodic systems. I. Coupled perturbed Hartree-Fock theory

The uncoupled theory of Genkin and Mednis [Sov. Phys. JETP 27, 609 (1968)] for the nonlinear optical properties of infinite periodic systems has been extended to yield a fully analytical coupled perturbed Hartree-Fock treatment. Similarities and differences from other approaches to the same problem are analyzed. Future addition of electron correlation and vibrational contributions is discussed. (C) 2000 American Institute of Physics. [S0021-9606(00)51127-1].