16 citations · 16 across the 2 of their papers we have counts for
2 papers
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…
cond-mat.mtrl-sci2022★ 16 cited
Error Cancellation in Diffusion Monte Carlo Calculations of Surface Chemistry
Gopal R. Iyer, Brenda M. Rubenstein
Diffusion Monte Carlo (DMC) is being recognized as a higher-accuracy, albeit more computationally expensive, alternative to Density Functional Theory (DFT) for energy predictions o…