591 citations · 7k across the 113 of their papers we have counts for
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physics.comp-ph2017★ 161 cited
Ab initio computations of molecular systems by the auxiliary-field quantum Monte Carlo method
Mario Motta, Shiwei Zhang
The auxiliary-field quantum Monte Carlo (AFQMC) method provides a computational framework for solving the time-independent Schroedinger equation in atoms, molecules, solids, and a…
physics.comp-ph2017★ 244 cited
Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan +18
We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and…