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

Authors
Kirtman, B Gu, FL Bishop, DM
Citation
B. Kirtman et al., Extension of the Genkin and Mednis treatment for dynamic polarizabilities and hyperpolarizabilities of infinite periodic systems. I. Coupled perturbed Hartree-Fock theory, J CHEM PHYS, 113(3), 2000, pp. 1294-1309
Citations number
53
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
3
Year of publication
2000
Pages
1294 - 1309
Database
ISI
SICI code
0021-9606(20000715)113:3<1294:EOTGAM>2.0.ZU;2-E
Abstract
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 treatme nt. Similarities and differences from other approaches to the same problem are analyzed. Future addition of electron correlation and vibrational contr ibutions is discussed. (C) 2000 American Institute of Physics. [S0021-9606( 00)51127-1].