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physics.chem-ph2014★ 54 cited
Sublinear scaling for time-dependent stochastic density functional theory
Yi Gao, Daniel Neuhauser, Roi Baer +1
A stochastic approach to time-dependent density functional theory (TDDFT) is developed for computing the absorption cross section and the random phase approximation (RPA) correlati…
physics.chem-ph2013
A guided stochastic energy-domain formulation of the second order Møller-Plesset perturbation theory
Qinghui Ge, Yi Gao, Roi Baer +2
We develop an alternative formulation in the energy-domain to calculate the second order Møller-Plesset (MP2) perturbation energies. The approach is based on repeatedly choosing fo…