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20152026
most citedLarge-scale ab initio simulations based on systematically improvable atomic basis

4 citations · 6 across the 9 of their papers we have counts for

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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…