ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 40, Number 8
JKCSEZ 40(8)
April 20, 1996 

The HOMO-LUMO gap, and static and dynamic third-order polarizabilities for the polyenes are evaluated by means of the time-dependent Hartree Fock(TDHF) semiempirical PM3, AM1, MNDO, and MINDO/3 calculations. All calculations have performed on the series C2H4 to C32H34. The HOMO-LUMO gap increases in the order: MINDO/3 > MNDO > PM3 > AM1 levels. THG, DC-EFISHG, IDRI, and OKE for the various calculations show the order: AM1 > MNDO > PM3 levels. The various third-order effects for the polyenes have the following order: THG > DC-EFISHG > IDRI > OKE.