Saturation of the Optical Band Gap and Properties of Five-Membered Heteroaromatic Oligomers
- 12 February 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 102 (10) , 1710-1712
- https://doi.org/10.1021/jp9806056
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- Saturation of the second hyperpolarizability for polyacetylenesChemical Physics Letters, 1996
- Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenesChemical Physics Letters, 1996
- Random-phase calculations of frequency-dependent polarizabilities and hyperpolarizabilities of long polyene chainsPhysical Review B, 1995
- Ab initio finite oligomer method for nonlinear optical properties of conjugated polymers. Hartree–Fock static longitudinal hyperpolarizability of polyacetyleneThe Journal of Chemical Physics, 1995
- Electronic Coherence and Nonlinear Susceptibilities of Conjugated PolyenesScience, 1994
- Third-Order Nonlinear Optical Response in Organic Materials: Theoretical and Experimental AspectsChemical Reviews, 1994
- A b i n i t i o analytic polarizability, first and second hyperpolarizabilities of large conjugated organic molecules: Applications to polyenes C4H6 to C22H24The Journal of Chemical Physics, 1988
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–FJournal of Computational Chemistry, 1983
- Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1972