149 citations · 339 across the 7 of their papers we have counts for
Showing 2016 · physics.chem-phShow all
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physics.chem-ph2016★ 23 cited
Performance of a nonempirical exchange functional from the density matrix expansion: comparative study with different correlation
Yuxiang Mo, Guocai Tian, Jianmin Tao
Recently, Tao and Mo proposed an accurate meta-generalized gradient approximation for the exchange-correlation energy. The exchange part is derived from the density matrix expansio…
physics.chem-ph2016★ 85 cited
Performance of a Nonempirical Density Functional on Molecules and Hydrogen-Bonded Complexes
Yuxiang Mo, Guocai Tian, Roberto Car +3
Recently, Tao and Mo (TM) derived a meta-generalized gradient approximation functional based on a model exchange-correlation hole. In this work, the performance of this functional…