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Raman tensor calculation for magnesium phthalocyanine |
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| Authors: | Jaroslav Tó bik,Erio Tosatti |
| Affiliation: | a International School for Advanced Studies (SISSA) and INFM Democritos National Simulation Center, Via Beirut 2, I-34014 Trieste, Italy b The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera 11, 34100 Trieste, Italy |
| Abstract: | We present ab-initio density functional (DFT) calculations of the vibrational spectra of neutral magnesium phthalocyanine (MgPc) molecule and of its Raman scattering intensities. |
| Keywords: | Density functional calculations Magnesium phthalocyanine Raman scattering spectroscopy |
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