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• W2085687019 abstract "Multidimensional spectroscopy has the ability to provide great insight into the complex dynamics and time-resolved structure of liquids. Theoretically describing these experiments requires calculating the nonlinear-response function, which is a combination of quantum-mechanical time correlation functions R5(t1,t2) was expressed with a two-time, computationally tractable, classical TCF. Writing the response function in terms of classical TCFs brings the full power of atomistically detailed molecular dynamics to the problem. In this paper, the new TCF theory is employed to calculate the fifth-order Raman response function for liquid xenon and investigate several of the polarization conditions for which experiments can be performed on an isotropic system. The theory is shown to reproduce line-shape characteristics predicted by earlier theoretical work." @default.
• W2085687019 created "2016-06-24" @default.
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• W2085687019 date "2005-11-15" @default.
• W2085687019 modified "2023-09-27" @default.
• W2085687019 title "Applications of a time correlation function theory for the fifth-order Raman response function I: Atomic liquids" @default.
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• W2085687019 doi "https://doi.org/10.1063/1.2038768" @default.
• W2085687019 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16321100" @default.
• W2085687019 hasPublicationYear "2005" @default.
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