@article{c4cb0ef94bff4cf38290db665fb0af04,
title = "Tuning of large second hyperpolarizabilities in organic conjugated compounds",
abstract = "The geometry of a typical polymethine dye is tuned as a function of an external electric field from a neutral structure to a zwitterionic (charge-separated) structure. The corresponding evolutions of the ground and excited states and the nonlinear optical response are calculated at the correlated level. Analysis of the results allows us to determine a consistent three-term model for the second hyperpolarizability. This model rationalizes recent experimental data and can be exploited to optimize γ in either a positive or negative sense.",
author = "F. Meyers and Marder, \{S. R.\} and Pierce, \{B. M.\} and Br{\'e}das, \{J. L.\}",
note = "Funding Information: The work in Mons is carriedo ut within thef rame-work of the BelgiumP rime Minister Office of Sci-enceP olicy {\textquoteleft}Pole d{\textquoteright}AttractionI nteruniversitaireen Chimie Supramoltculairee t Catalyse{\textquoteright} and {\textquoteleft}Programmed {\textquoteright}Impulsione n Technologied e l{\textquoteright}Information{\textquoteright} (contractI T/SC/22), FNRS-FRFC, the European Commission,a nd an IBM Academic Joint Study.T he work was performedi n part by the Jet PropulsionL aboratory,C aliforniaI nstituteo f Technology,a sp arto f its Centerf or SpaceM icroelectron-ics Technologya nd was supportedb y the Ballistic MissilesD efenseIn itiativeO rganizationI,n novative Sciencea nd TechnologyO ffice, througha contract with the NationalA eronauticsa nd SpaceA dminis-tration (NASA). Supporta t the BeckmanI nstitute from the Air Force Office of Scientific Research (grantN o. F49620-92-J-107 7),t heN ationalS cience Foundation( grantN o. CHE-9 106689a) ndt heN orth Atlantic Treaty Organization is gratefully acknowledged.",
year = "1994",
month = sep,
day = "30",
doi = "10.1016/0009-2614(94)00905-8",
language = "English (US)",
volume = "228",
pages = "171--176",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier B.V.",
number = "1-3",
}