28 citations · 100 across the 7 of their papers we have counts for
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physics.chem-ph2022★ 12 cited
Towards chemical accuracy using the Jastrow correlated antisymmetrized geminal power ansatz
Abhishek Raghav, Ryo Maezono, Kenta Hongo +2
Herein, we report accurate atomization energy calculations for 55 molecules in the Gaussian-2 (G2) set using lattice regularized diffusion Monte Carlo (LRDMC). We compare the Jastr…
physics.chem-ph2021★ 21 cited
Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo
Kousuke Nakano, Abhishek Raghav, Sandro Sorella
Ab-initio quantum Monte Carlo (QMC) methods are a state-of-the-art computational approach to obtaining highly accurate many-body wave functions. Although QMC methods are widely use…