Back to Search
Start Over
Numerical Analysis of Finite Dimensional Approximations in Finite Temperature DFT
- Publication Year :
- 2024
-
Abstract
- 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.<br />Comment: 20 pages, 6 figures
- Subjects :
- Mathematics - Numerical Analysis
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.2405.07059
- Document Type :
- Working Paper