1.3k citations · 1.9k across the 28 of their papers we have counts for
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physics.chem-ph2018★ 23 cited
Incremental Embedding: A Density Matrix Embedding Scheme for Molecules
Hong-Zhou Ye, Matthew Welborn, Nathan D. Ricke +1
The idea of using fragment embedding to circumvent the high computational scaling of accurate electronic structure methods while retaining high accuracy has been a long-standing go…
physics.chem-ph2018★ 51 cited
Triplet-Tuning: A Novel Family of Non-Empirical Exchange-Correlation Functionals
Zhou Lin, Troy Van Voorhis
In the framework of DFT, the lowest triplet excited state, T, can be evaluated using multiple formulations, the most straightforward of which are UDFT and TDDFT. Assuming the e…