References & Citations
Mathematics > Numerical Analysis
Title: Numerical Analysis of Finite Dimensional Approximations in Finite Temperature DFT
(Submitted on 11 May 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.
Link back to: arXiv, form interface, contact.