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20192023
most citedA complete OSV-MP2 analytical gradient theory for molecular structure and dynamics simulations

17 citations · 28 across the 3 of their papers we have counts for

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Showing 2021Show all

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physics.chem-ph2021

Third-order many-body expansion of OSV-MP2 wavefunction for low-order scaling analytical gradient computation

Qiujiang Liang, Jun Yang

We present a many-body expansion (MBE) formulation and implementation for efficient computation of analytical energy gradients from OSV-MP2 theory based on our earlier work (Zhou e…