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20102023
most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 788 across the 25 of their papers we have counts for

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Showing 2023 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2023

Self-consistent convolutional density functional approximations: Application to adsorption at metal surfaces

Sushree Jagriti Sahoo, Qimen Xu, Xiangyun Lei +5

The exchange-correlation (XC) functional in density functional theory is used to approximate multi-electron interactions. A plethora of different functionals is available, but near…