公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
2012 | Density functional theory with fractional orbital occupations | Chai, Jeng-Da; JENG-DA CHAI | Journal of Chemical Physics | 118 | 114 | |
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 | |
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 | |
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 | |
2016 | The van der Waals interactions in rare-gas dimers: the role of interparticle interactions | Chen, Yu-Ting; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI | Physical Chemistry Chemical Physics | 7 | 7 | |
2014 | Thermally-assisted-occupation density functional theory with generalized-gradient approximations | Chai, Jeng-Da; JENG-DA CHAI | Journal of Chemical Physics | 59 | 60 | |
2020 | Thermoelectric properties, phonon, and mechanical stability of new half-metallic quaternary Heusler alloys: FeRhCrZ (Z=Si and Ge) | Khandy, Shakeel Ahmad; Chai, Jeng-Da; JENG-DA CHAI | JOURNAL OF APPLIED PHYSICS | 81 | 83 | |