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Comment: 11 pages, Revtex, 2 figures (included), to appear in Phys. Rev. B April 15, 2000
Comment: 24 pages, 9 figures (included), to appear in Chemical Physics
In this paper we present a theoretical study of the third-order nonlinear optical properties of poly(diphenyl)polyacetylene (PDPA) pertaining to the third-harmonic-generation (THG) process. We study the aforesaid process in PDPA's using both the independent electron Hueckel model, as well as correlated-electron Pariser-Parr-Pople (P-P-P) model. The P-P-P model based calculations were performed using various configuration interaction (CI) methods such as the the multi-reference-singles-doubles CI (MRSDCI), and the quadruples-CI (QCI) methods, and the both longitudinal and the transverse components of third-order susceptibilities were computed. The Hueckel model calculations were performed on oligo-PDPA's containing up to fifty repeat units, while correlated calculations were performed for oligomers containing up to ten unit cells. At ...
Comment: 7 pages, 2 eps figures (included), RevTex, accepted in Phys. Rev. B
Comment: 29 pages, 3 figures, to appear in Computer Physics Communications
Comment: Includes paper and supplementary information (total 19 pages) and 4 figures
Comment: 3 pages, 1 figures;Removed 'Introduction' and 'Appendix';Rearranged the text to make it more compact
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