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20202024
most citedA Quantum Algorithm to Calculate Band Structure at the EOM Level of Theory

45 citations · 76 across the 4 of their papers we have counts for

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physics.comp-ph2020★ 31 cited

Interpolative separable density fitting decomposition for accelerating Hartree-Fock exchange calculations within numerical atomic orbitals

Xinming Qin, Jie Liu, Wei Hu +1

The high cost associated with the evaluation of Hartree-Fock exchange (HFX) makes hybrid functionals computationally challenging for large systems. In this work, we present an effi…