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Showing items 11-20 of 34  (4 Page(s) Totally)
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Institution Date Title Author
臺大學術典藏 2019-09-09T00:39:53Z Electronic Properties of Möbius Cyclacenes Studied by Thermally-Assisted-Occupation Density Functional Theory JENG-DA CHAI;Chung, Jui Hui; Chung, Jui Hui; JENG-DA CHAI
臺大學術典藏 2019-09-09T00:39:53Z Local Density Approximation for the Short-Range Exchange Free Energy Functional Su, Haibin;Xuan, Fengyuan;JENG-DA CHAI; JENG-DA CHAI; Xuan, Fengyuan; Su, Haibin
臺大學術典藏 2018-09-10T18:02:56Z 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
臺大學術典藏 2018-09-10T18:00:51Z Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes JENG-DA CHAI; JENG-DA CHAI; JENG-DA CHAI
臺大學術典藏 2018-09-10T15:34:41Z Short- and long-range corrected hybrid density functionals with the D3 dispersion corrections Wang, Chih-Wei;Hui, Kerwin;Chai, Jeng-Da; Wang, Chih-Wei; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI
臺大學術典藏 2018-09-10T15:33:07Z 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; Yeh, Chia-Nan; Chai, Jeng-Da; JENG-DA CHAI
臺大學術典藏 2018-09-10T15:32:07Z SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters Hui, Kerwin;Chai, Jeng-Da; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI
臺大學術典藏 2018-09-10T15:32:07Z The van der Waals interactions in rare-gas dimers: the role of interparticle interactions Chen, Yu-Ting;Hui, Kerwin;Chai, Jeng-Da; Chen, Yu-Ting; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI
臺大學術典藏 2018-09-10T14:52:53Z Thermally-assisted-occupation density functional theory with generalized-gradient approximations Chai, Jeng-Da; JENG-DA CHAI
臺大學術典藏 2018-09-10T09:42:45Z Restoration of the Derivative Discontinuity in Kohn-Sham Density Functional Theory: An Efficient Scheme for Energy Gap Correction Chai, Jeng-Da; Chen, Po-Ta; Chai, Jeng-Da; Chen, Po-Ta; JENG-DA CHAI

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