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20042023
most citedResolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2, and \textit{GW} with numeric atom-centered orbital basis functions

745 citations · 3.1k across the 46 of their papers we have counts for

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Showing 2020 · physics.comp-phShow all

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physics.comp-ph2020★ 1 cited

Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals

Peize Lin, Xinguo Ren, Lixin He

We present an efficient, linear-scaling implementation for building the (screened) Hartree-Fock exchange (HFX) matrix for periodic systems within the framework of numerical atomic…