تقرير
State of the art for ab initio vs empirical potentials for predicting 6e$^{-}$ excited state molecular energies: Application to Li$_{2}\left(b,1^{3}\Pi_{u}\right)$
| العنوان: | State of the art for ab initio vs empirical potentials for predicting 6e$^{-}$ excited state molecular energies: Application to Li$_{2}\left(b,1^{3}\Pi_{u}\right)$ |
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| المؤلفون: | Dattani, Nikesh S., Roy, Robert J. Le |
| سنة النشر: | 2015 |
| المجموعة: | Astrophysics Physics (Other) Quantum Physics |
| مصطلحات موضوعية: | Physics - Chemical Physics, Astrophysics - Solar and Stellar Astrophysics, Physics - Atomic Physics, Physics - Computational Physics, Quantum Physics, 80A05, 85A99, 81V10, 81V45, 81V55, 81-08, J.2 |
| الوصف: | We build the first analytic empirical potential for the most deeply bound $\mbox{Li}_{2}$ state: $b\left(1^{3}\Pi_{u}\right)$. Our potential is based on experimental energy transitions covering $v=0-34$, and very high precision theoretical long-range constants. It provides high accuracy predictions up to $v=100$ which pave the way for high-precision long-range measurements, and hopefully an eventual resolution of the age old discrepancy between experiment and theory for the $\mbox{Li}\left(2^{2}S\right)+\mbox{Li}\left(2^{2}P\right)$ $C_{3}$ value. State of the art ab initio calculations predict vibrational energy spacings that are all in at most 0.8 cm$^{-1}$ disagreement with the empirical potential. Comment: Feedback encouraged. 16 pages, 3 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/1508.07184 |
| رقم الأكسشن: | edsarx.1508.07184 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |