works on
iterative minimization 1optimization algorithms 1periodic solids 1planewave implementation 1reduced density matrix functional theory 1

From the 1 of 8 linked papers with an AI index.

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20242026
most citedLow-scaling \textit{GW} calculations of quasi-particle energies for extended systems within the numerical atomic orbital framework

1 citations · 1 across the 3 of their papers we have counts for

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physics.comp-ph2025

Applying Space-Group Symmetry to Speed up Hybrid-Functional Calculations within the Framework of Numerical Atomic Orbitals

Yu Cao, Min-Ye Zhang, Peize Lin +2

Building upon the efficient implementation of hybrid density functionals (HDFs) for large-scale periodic systems within the framework of numerical atomic orbital bases using the lo…

physics.comp-ph2024

Efficient hybrid-functional-based force and stress calculations for periodic systems with thousands of atoms

Peize Lin, Yuyang Ji, Lixin He +1

We present an efficient linear-scaling algorithm for evaluating the analytical force and stress contributions derived from the exact-exchange energy, a key component in hybrid func…