Citation
W. Fu et al., Theoretical studies on the third-order nonlinear optical property and design of some organic NLO materials, CHIN J ST C, 19(1), 2000, pp. 57-63
Citations number
10
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
02545861
→ ACNP
Volume
19
Issue
1
Year of publication
2000
Pages
57 - 63
Database
ISI
SICI code
0254-5861(2000)19:1<57:TSOTTN>2.0.ZU;2-U
Abstract
On the basis of INDO/SCI method, using sum-over-states (SOS) method, the th
ird-order nonlinear optical susceptibilities gamma(-omega; omega, -omega, o
mega) and gamma(0; 0, 0, 0) of a series of organic molecules have been calc
ulated. The effects of molecular backbone, donor substitutes, the number of
thiophene-ring (namely the conjugated molecular length dependence) on the
gamma have been studied.