most citedCombining density based dynamical correlation with a reduced density matrix strong correlation description

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physics.chem-ph2020★ 8 cited

Combining density based dynamical correlation with a reduced density matrix strong correlation description

Robert van Meer, Oleg Gritsenko, Jeng-Da Chai

A combined density and first-order reduced-density-matrix (1RDM) functional method is proposed for the calculation of potential energy curves (PECs) of molecular multibond dissocia…