most citedMethod For Making 2-Electron Response Reduced Density Matrices Approximately N-representable

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quant-ph2017★ 14 cited

Method For Making 2-Electron Response Reduced Density Matrices Approximately N-representable

Caitlin Lanssens, Paul W. Ayers, Dimitri Van Neck +3

In methods like geminal-based approaches or coupled cluster that are solved using the projected Schrödinger equation, direct computation of the 2-electron reduced density matrix (2…