most citedWave functions for quantum Monte Carlo calculations in solids: Orbitals from density functional theory with hybrid exchange-correlation functionals

64 citations · 64 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2010★ 64 cited

Wave functions for quantum Monte Carlo calculations in solids: Orbitals from density functional theory with hybrid exchange-correlation functionals

Jindrich Kolorenc, Shuming Hu, Lubos Mitas

We investigate how the fixed-node diffusion Monte Carlo energy of solids depends on single-particle orbitals used in Slater--Jastrow wave functions. We demonstrate that the depende…