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• W2085849110 abstract "The spectral density formalism is used to solve for intramolecular line broadening in simple model systems corresponding to rigid (solid-like) and nonrigid (droplet-like) clusters of varying sizes. Both quantum mechanical and classical techniques are used to calculate the spectral density J(ω), which subsequently yields the absorption spectrum. Our calculations demonstrate how the averaging of molecular information takes place in the broadened line shapes. This occurs in two steps: The molecular eigenstates are grouped to form the spectral density J(ω), and the line shape in turn averages the information contained in J(ω). The semiclassical approximation for J(ω) is excellent for rigid clusters of any size. For nonrigid clusters it holds only when the cluster size is large enough. The present approach may be used also towards the calculation of molecular electronic spectra and overtone line shapes." @default.
• W2085849110 created "2016-06-24" @default.
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• W2085849110 creator A5085637107 @default.
• W2085849110 date "1984-06-01" @default.
• W2085849110 modified "2023-10-18" @default.
• W2085849110 title "Line broadening in rigid and nonrigid clusters and molecular electronic spectra. The spectral density formalism" @default.
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• W2085849110 doi "https://doi.org/10.1063/1.446659" @default.
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