Report
Ab initio investigation of the groundstate, electronic, and optical properties of polyyne and cumulene prototypes
| العنوان: | Ab initio investigation of the groundstate, electronic, and optical properties of polyyne and cumulene prototypes |
|---|---|
| المؤلفون: | Motta, Carlo, Cazzaniga, Marco, Bordoni, Andrea, Gaal-Nagy, Katalin |
| سنة النشر: | 2009 |
| المجموعة: | Physics (Other) |
| مصطلحات موضوعية: | Physics - Computational Physics |
| الوصف: | We have investigated polyyne and cumulene prototypes based on the density-functional theory. Our independent-particle spectra show that the various carbynes can be distinguished by optical properties comparing the low-energy spectral structure as well as using very general considerations. The latter conclusion is supported by results based on the random-phase approximation including local-field effects. Comment: 9 pages, 7 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/0904.2905 |
| رقم الانضمام: | edsarx.0904.2905 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |