Theory of two-photon absorption in poly(diphenyl) polyacetylenes

Chemical Physics

Volumn 300, Issue 1-3, 2004, Pages 177-188

  Shukla, Alok ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

Author keywords

42.65 k; 78.20.Bh; 78.30.Jw; Conjugated polymers; Electron correlation effects; Nonlinear optics two photon absorption

Indexed keywords

POLYACETYLENE DERIVATIVE; POLYMER;

ANISOTROPY; ARTICLE; CONJUGATION; CORRELATION ANALYSIS; ENERGY; LIGHT ABSORPTION; MATHEMATICAL MODEL; METHODOLOGY; MOLECULAR INTERACTION; NONLINEAR SYSTEM; OPTICS; POLARIZATION; THEORETICAL STUDY;

EID: 1842454211     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.02.004     Document Type: Article

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26. The many-particle wave functions of half-filled conjugated polymers such as PDPA exhibit particle-hole (charge conjugation) symmetry when treated using the models such as the Hubbard model and the P-P-P model. Therefore, for every configuration which contributes to its wave function, its charge-conjugated (c.c.) counterpart will contribute in equal measure. For example, if configuration |H→L+1〉 occurs in the wave function with coefficient 0.69, configuration |H-1→L〉 will also occur in the wave function with coefficient of the same magnitude (although, the sign could be reversed). Thus, we will use shorthand notation |H→L+1〉+c.c. (0.69) to denote the contribution of these configurations to the wave function.
27. We are grateful to Sumit Mazumdar for bringing this point to our notice.