تقرير
Numerical Analysis of Finite Dimensional Approximations in Finite Temperature DFT
| العنوان: | Numerical Analysis of Finite Dimensional Approximations in Finite Temperature DFT |
|---|---|
| المؤلفون: | Xu, Ge, Chen, Huajie, Gao, Xingyu |
| سنة النشر: | 2024 |
| المجموعة: | Computer Science Mathematics |
| مصطلحات موضوعية: | Mathematics - Numerical Analysis |
| الوصف: | In this paper, we study numerical approximations of the ground states in finite temperature density functional theory. We formulate the problem with respect to the density matrices and justify the convergence of the finite dimensional approximations. Moreover, we provide an optimal a priori error estimate under some mild assumptions and present some numerical experiments to support the theory. Comment: 20 pages, 6 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2405.07059 |
| رقم الأكسشن: | edsarx.2405.07059 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |