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Optical spectrum of crystalline anthracene: comparison between theory and experiment

✍ Scribed by R.E. Lagos; R.A. Friesner


Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
347 KB
Volume
122
Category
Article
ISSN
0009-2614

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✦ Synopsis


We calculak the oprical spectra of crysAline nnthracene using a cluster dynamical coherent approximation. We model Ihe bare cxcilon density 3s a combination of a one-and a three-dimensional type of density of soaks. Quanlilntivc ngrcemenr with experimenl is obIained [or the h-polarized first vibronic singlet SIPIC (range 25000-27000 cm-').


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