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physics.chem-ph2022
Systematic lowering of the scaling of Monte Carlo calculations by partitioning andsubsampling
Antoine Bienvenu, Jonas Feldt, Julien Toulouse +1
We propose to compute physical properties by Monte Carlo calculations using conditional expectation values. The latter are obtained on top of the usual Monte Carlo sampling by part…
physics.chem-ph2020
Excited-state calculations with quantum Monte Carlo
Jonas Feldt, Claudia Filippi
Quantum Monte Carlo methods are first-principle approaches that approximately solve the Schrödinger equation stochastically. As compared to traditional quantum chemistry methods, t…