215 citations · 222 across the 3 of their papers we have counts for
6 papers
Accuracy of generalized gradient approximation functionals for density functional perturbation theory calculations
Lianhua He, Fang Liu, Geoffroy Hautier +6
We assess the validity of various exchange-correlation functionals for computing the structural, vibrational, dielectric, and thermodynamical properties of materials in the framewo…
Adaptive Finite Element Approximations for Kohn-Sham Models
Huajie Chen, Xiaoying Dai, Xingao Gong +2
The Kohn-Sham equation is a powerful, widely used approach for computation of ground state electronic energies and densities in chemistry, materials science, biology, and nanoscien…
Convergence Rate and Quasi-Optimal Complexity of Adaptive Finite Element Computations for Multiple Eigenvalues
Xiaoying Dai, Lianhua He, Aihui Zhou
In this paper, we study an adaptive finite element method for multiple eigenvalue problems of a class of second order elliptic equations. By using some eigenspace approximation tec…
Numerical Analysis of Finite Dimensional Approximations of Kohn-Sham Models
Huajie Chen, Xingao Gong, Lianhua He +2
In this paper, we study finite dimensional approximations of Kohn-Sham models, which are widely used in electronic structure calculations. We prove the convergence of the finite di…
Convergence and Optimal Complexity of Adaptive Finite Element Methods
Lianhua He, Aihui Zhou
In this paper, we study adaptive finite element approximations in a perturbation framework, which makes use of the existing adaptive finite element analysis of a linear symmetric e…
Convergence of Adaptive Finite Element Approximations for Nonlinear Eigenvalue Problems
H. Chen, X. Gong, L. He +1
In this paper, we study an adaptive finite element method for a class of a nonlinear eigenvalue problems that may be of nonconvex energy functional and consider its applications to…