most citedMulti-reference perturbation theory with Cholesky decomposition for the density matrix renormalization group

127 citations · 127 across the 1 of their papers we have counts for

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physics.chem-ph2016★ 127 cited

Multi-reference perturbation theory with Cholesky decomposition for the density matrix renormalization group

Leon Freitag, Stefan Knecht, Celestino Angeli +1

We present a second-order N-electron valence state perturbation theory (NEVPT2) based on a density matrix renormalization group (DMRG) reference wave function that exploits a Chole…