21 citations · 43 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2023★ 13 cited
Computation of forces and stresses in solids: Towards accurate structural optimization with auxiliary-field quantum Monte Carlo
Siyuan Chen, Shiwei Zhang
The accurate computation of forces and other energy derivatives has been a long-standing challenge for quantum Monte Carlo methods. A number of technical obstacles contribute to th…
cond-mat.mtrl-sci2020★ 21 cited
Ab initio electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations
Siyuan Chen, Mario Motta, Fengjie Ma +1
We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-f…