Spectroscopy of Solids
نویسندگان
چکیده
منابع مشابه
Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principles
We present a computational analysis of the terahertz spectra of the monoclinic and the orthorhombic polymorphs of 2,4,6-trinitrotoluene. Very good agreement with experimental data is found when using density functional theory that includes Tkatchenko-Scheffler pair-wise dispersion interactions. Furthermore, we show that for these polymorphs the theoretical results are only weakly affected by ma...
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The nature of the lowest-energy electronic excitations in prototypical molecular solids is studied here in detail by combining electron energy loss spectroscopy (EELS) experiments and state-of-the-art many-body calculations based on the Bethe–Salpeter equation. From a detailed comparison of the spectra in picene, coronene and tetracene we generally find a good agreement 8 Authors to whom any co...
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ژورنال
عنوان ژورنال: Nature
سال: 1969
ISSN: 0028-0836,1476-4687
DOI: 10.1038/223981c0