242 citations · 2.4k across the 82 of their papers we have counts for
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Localized spectrum slicing
Lin Lin
Given a sparse Hermitian matrix and a real number , we construct a set of sparse vectors, each approximately spanned only by eigenvectors of corresponding to eigenvalues…
Compressed representation of Kohn-Sham orbitals via selected columns of the density matrix
Anil Damle, Lin Lin, Lexing Ying
Given a set of Kohn-Sham orbitals from an insulating system, we present a simple, robust, efficient and highly parallelizable method to construct a set of, optionally orthogonal, l…
SIESTA-PEXSI: Massively parallel method for efficient and accurate \textit{ab initio} materials simulation without matrix diagonalization
Lin Lin, Alberto García, Georg Huhs +1
We describe a scheme for efficient large-scale electronic-structure calculations based on the combination of the pole expansion and selected inversion (PEXSI) technique with the SI…
Numerical integration for ab initio many-electron self energy calculations within the GW approximation
Fang Liu, Lin Lin, Derek Vigil-Fowler +8
We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the sel…
A posteriori error estimator for adaptive local basis functions to solve Kohn-Sham density functional theory
Jason Kaye, Lin Lin, Chao Yang
Kohn-Sham density functional theory is one of the most widely used electronic structure theories. The recently developed adaptive local basis functions form an accurate and systema…