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physics.chem-ph2026
Stochastic Tensor Contraction for Efficient MP2 Exchange
Jiace Sun, Garnet Kin-Lic Chan
Second-order Moller--Plesset perturbation theory (MP2) is one of the simplest correlated wave-function methods, but its conventional cost limits its application to large s…
physics.chem-ph2026
Stochastic tensor contraction for quantum chemistry
Jiace Sun, Garnet Kin-Lic Chan
Many computational methods in ab initio quantum chemistry are formulated in terms of high-order tensor contractions, whose cost determines the size of system that can be studied. W…