699 citations · 739 across the 15 of their papers we have counts for
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physics.chem-ph2020★ 699 cited
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
physics.chem-ph2018
Optimized pair natural orbitals for the coupled cluster methods
Marjory C. Clement, Jinmei Zhang, Cannada A. Lewis +2
We present the coupled-cluster singles and doubles method formulated in terms of truncated pair-natural orbitals (PNO) that are optimized to minimize the effect of truncation. Comp…