980 citations · 1.4k across the 13 of their papers we have counts for
Showing 2012 · physics.chem-phShow all
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physics.chem-ph2012★ 52 cited
Assessment of density functional methods with correct asymptotic behavior
Chen-Wei Tsai, Yu-Chuan Su, Guan-De Li +1
Long-range corrected (LC) hybrid functionals and asymptotically corrected (AC) model potentials are two distinct density functional methods with correct asymptotic behavior. They a…
physics.chem-ph2012★ 980 cited
Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections
You-Sheng Lin, Guan-De Li, Shan-Ping Mao +1
By incorporating the improved empirical atom-atom dispersion corrections from DFT-D3 [Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. J. Chem. Phys. 2010, 132, 154104], two long-ran…
physics.chem-ph2012★ 154 cited
Seeking for reliable double-hybrid density functionals without fitting parameters: The PBE0-2 functional
Jeng-Da Chai, Shan-Ping Mao
Without the use of any empirical fitting to experimental or high-level ab initio data, we present a double-hybrid density functional approximation for the exchange-correlation ener…