Collison effects in the nonlinear Raman response of liquid carbon disulfide

Autor: Thomas L. C. Jansen, Marcel Swart, Jaap G. Snijders, Piet Th. van Duijnen, Lasse Jensen, Koos Duppen
Přispěvatelé: Theoretical Chemistry, Faculty of Science and Engineering, Organic Chemistry
Jazyk: angličtina
Rok vydání: 2002
Předmět:
Zdroj: Jansen, T I C, Swart, M, Jensen, L, van Duijnen, P T, Snijders, J G & Duppen, K 2002, ' Collison effects in the nonlinear Raman response of liquid carbon disulfide ', Journal of Chemical Physics, vol. 116, no. 8, pp. 3277-3285 . https://doi.org/10.1063/1.1436463
Journal of Chemical Physics, 116(8), 3277-3285. AMER INST PHYSICS
Journal of Chemical Physics, 116(8), 3277-3285. American Institute of Physics Publising LLC
ISSN: 0021-9606
DOI: 10.1063/1.1436463
Popis: A model of the polarizability of carbon disulfide dimers was constructed, using polarizabilities from accurate time-dependent density functional theory calculations as reference. This direct reaction field model takes dipole-induced dipole effects, induced multipole effects and effects due to the overlap of the electronic clouds into account in an approximate way. The importance of the induced multipole and the overlap effects is investigated. This polarizability model is subsequently used to calculate the third-order time-domain Raman response of liquid carbon disulfide. These results are compared to experimental data and earlier calculated response in which only dipole-induced dipole effects on the polarizability were included. The multipole effects are found to give a significant contribution to the subpico second part of the third-order Raman response. (C) 2002 American Institute of Physics.
Databáze: OpenAIRE