Hyperpolarizabilities for the one-dimensional infinite single-electron periodic systems. II. Dipole-dipole versus current-current correlations

Minzhong Xu, Shidong Jiang

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Based on Takayama-Lin-Liu-Maki model, analytical expressions for the third-harmonic generation, dc Kerr effect, dc-induced second-harmonic optical Kerr effect, optical Kerr effect or intensity-dependent index of refraction, and dc-electric-field-induced optical rectification are derived under the static current-current (J0 J0) correlation for one-dimensional infinite chains. The results of hyperpolarizabilities under J0 J0 correlation are then compared with those obtained using the dipole-dipole correlation. The comparison shows that the conventional J0 J0 correlation, albeit quite successful for the linear case, is incorrect for studying the nonlinear optical properties of periodic systems.

Original languageEnglish (US)
Article number064902
JournalJournal of Chemical Physics
Volume123
Issue number6
DOIs
StatePublished - Aug 8 2005

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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