Optical spectrum of crystalline anthracene: comparison between theory and experiment
β 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
No coin nor oath required. For personal study only.
β¦ 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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