3 papers
physics.comp-ph2025
Stochastic Density Functional Theory Through the Lens of Multilevel Monte Carlo Method
Xue Quan, Huajie Chen
The stochastic density functional theory (sDFT) has exhibited advantages over the standard Kohn-Sham DFT method and has become an attractive approach for large-scale electronic str…
math-ph2025
Numerical computation of the density of states of aperiodic multiscale Schrödinger operators
Eric Cancès, Daniel Massatt, Long Meng +2
Computing the electronic structure of incommensurate materials is a central challenge in condensed matter physics, requiring efficient ways to approximate spectral quantities such…
physics.comp-ph2022
A Finite Element Configuration Interaction Method for Wigner Localization
Xue Quan, Huajie Chen
The Wigner localization is an electron phase at low densities when the electrons are sharply localized around equilibrium positions. The simulation of the Wigner localization pheno…