We gratefully acknowledge support from
the Simons Foundation and member institutions.
Full-text links:

Download:

Current browse context:

math.NA

Change to browse by:

References & Citations

Bookmark

(what is this?)
CiteULike logo BibSonomy logo Mendeley logo del.icio.us logo Digg logo Reddit logo

Mathematics > Numerical Analysis

Title: Numerical Analysis of Finite Dimensional Approximations in Finite Temperature DFT

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.
Comments: 20 pages, 6 figures
Subjects: Numerical Analysis (math.NA)
Cite as: arXiv:2405.07059 [math.NA]
  (or arXiv:2405.07059v1 [math.NA] for this version)

Submission history

From: Ge Xu [view email]
[v1] Sat, 11 May 2024 17:23:00 GMT (1719kb,D)

Link back to: arXiv, form interface, contact.