公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
2019 | Local Density Approximation for the Short-Range Exchange Free Energy Functional | Xuan, F.; Chai, J.-D.; JENG-DA CHAI | ACS Omega | 13 | 11 | |
2009 | Long-range corrected double-hybrid density functionals | JENG-DA CHAI ; Head-Gordon, M | Journal of Chemical Physics | 307 | 299 | |
2008 | Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections | Chai, JD; Head-Gordon, M; JENG-DA CHAI | Physical Chemistry Chemical Physics | 9452 | 9626 | |
2013 | Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections | Lin, You-Sheng; Li, Guan-De; Mao, Shan-Ping; Chai, Jeng-Da; JENG-DA CHAI | Journal of Chemical Theory and Computation | 470 | 475 | |
2012 | Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections | Lin, You-Sheng; Tsai, Chen-Wei; Li, Guan-De; Chai, Jeng-Da; JENG-DA CHAI | Journal of Chemical Physics | 100 | 96 | |
2004 | Modified statistical treatment of kinetic energy in the Thomas-Fermi model | JENG-DA CHAI | Journal of Physical Chemistry B | 30 | 25 | |
2019 | Novel half-metallic L21 structured full-Heusler compound for promising spintronic applications: A DFT-based computer simulation | Khandy S.A., Chai J.-D.; JENG-DA CHAI | Journal of Magnetism and Magnetic Materials | 41 | 39 | |
2008 | Optimal operators for Hartree-Fock exchange from long-range corrected hybrid density functionals | JENG-DA CHAI | Chemical Physics Letters | 68 | 64 | |
2007 | Orbital-free density functional theory: Kinetic potentials and ab initio local pseudopotentials | JENG-DA CHAI | Physical Review B | 35 | 32 | |
2009 | Orbital-free density functional theory: Linear scaling methods for kinetic potentials, and applications to solid Al and Si | JENG-DA CHAI | Chemical Physics Letters | 13 | 15 | |
2021 | Origin of pseudo gap and thermoelectric signatures of semimetallic Ru2TaGa: Structural stability from phonon dynamics, mechanical, and thermodynamic predictions | Khandy S.A., Chai J.-D.; JENG-DA CHAI | Journal of Physics and Chemistry of Solids | 21 | 21 | |
2013 | Restoration of the Derivative Discontinuity in Kohn-Sham Density Functional Theory: An Efficient Scheme for Energy Gap Correction | JENG-DA CHAI ; Chen, Po-Ta | Physical Review Letters | 45 | 45 | |
2020 | Robust stability, half-metallic ferrimagnetism and thermoelectric properties of new quaternary Heusler material: A first principles approach | Ahmad Khandy S., Chai J.-D.; JENG-DA CHAI | Journal of Magnetism and Magnetic Materials | 40 | 50 | |
2017 | Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes | JENG-DA CHAI | The Journal of Chemical Physics | 34 | 34 | |
2016 | Role of Kekule and Non-Kekule Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study | Yeh, Chia-Nan; Chai, Jeng-Da; JENG-DA CHAI | Scientific Reports | 57 | 64 | |
2016 | SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters | Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI | Journal of Chemical Physics | 119 | 116 | |
2012 | Seeking for reliable double-hybrid density functionals without fitting parameters: The PBE0-2 functional | Chai, Jeng-Da; Mao, Shan-Ping; JENG-DA CHAI | Chemical Physics Letters | 110 | 104 | |
2017 | Self-consistent determination of the fictitious temperature in thermally-assisted-occupation density functional theory | Lin, Chih-Ying; Hui, Kerwin; Chung, Jui-Hui; Chai, Jeng-Da; JENG-DA CHAI | Rsc Advances | 28 | 30 | |
2008 | Semiempirical double-hybrid density functional with improved description of long-range correlation | Benighaus, T; DiStasio, RA; Lochan, RC; Chai, JD; Head-Gordon, M; JENG-DA CHAI | Journal of Physical Chemistry a | 117 | 119 | |
2016 | Short- and long-range corrected hybrid density functionals with the D3 dispersion corrections | Wang, Chih-Wei; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI | Journal of Chemical Physics | 27 | 24 | |