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most citedElectronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Performance of PBE, SCAN, and HSE06 functionals

77 citations · 132 across the 12 of their papers we have counts for

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cond-mat.mtrl-sci2025

Benchmarking Selected Density Functionals and Dispersion Corrections for MOF-5 and its Derivatives

Joshua Edzards, Julia Santana Andreo, Holger-Dietrich Saßnick +1

Accurate computational predictions of metal-organic frameworks (MOFs) and their properties is crucial for discovering optimal compositions and applying them in relevant technologic…