Screening in the finite-temperature reduced Hartree-Fock model

DOI10.1007/s00205-020-01560-0zbMath1471.35246arXiv1810.03342OpenAlexW3045954337MaRDI QIDQ2192400

Antoine Levitt

Publication date: 17 August 2020

Published in: Archive for Rational Mechanics and Analysis (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1810.03342

zbMATH Keywords

Kohn-Sham density functional theoryHartree-Fock modeldefect charge

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) NLS equations (nonlinear Schrödinger equations) (35Q55) PDEs in connection with quantum mechanics (35Q40) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Existence problems for PDEs: global existence, local existence, non-existence (35A01) Computational molecular dynamics in statistical mechanics (82M37)

Related Items (6)

A robust and efficient line search for self-consistent field iterations ⋮ Body-ordered approximations of atomic properties ⋮ Finite-size effects in response functions of molecular systems ⋮ On an effective equation of the reduced Hartree-Fock theory ⋮ Numerical stability and efficiency of response property calculations in density functional theory ⋮ On the reduced Hartree-Fock equations with a small Anderson type background charge distribution

Uses Software

• Anderson

Cites Work

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