Jeng-Da Chai (蔡政達)
Jeng-Da Chai (蔡政達)
Professor, Department of Physics, National Taiwan University
Подтвержден адрес электронной почты в домене phys.ntu.edu.tw - Главная страница
Название
Процитировано
Процитировано
Год
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
JD Chai, M Head-Gordon
Physical Chemistry Chemical Physics 10 (44), 6615-6620, 2008
82352008
Systematic optimization of long-range corrected hybrid density functionals
JD Chai, M Head-Gordon
The Journal of Chemical Physics 128 (8), 084106, 2008
26552008
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
22452015
Long-range corrected hybrid density functionals with improved dispersion corrections
YS Lin, GD Li, SP Mao, JD Chai
Journal of Chemical Theory and Computation 9 (1), 263-272, 2013
3322013
Long-range corrected double-hybrid density functionals
JD Chai, M Head-Gordon
The Journal of Chemical Physics 131 (17), 174105, 2009
2982009
Impact of metal and anion substitutions on the hydrogen storage properties of M-BTT metal–organic frameworks
K Sumida, D Stück, L Mino, JD Chai, ED Bloch, O Zavorotynska, ...
Journal of the American Chemical Society 135 (3), 1083-1091, 2013
1442013
Semiempirical double-hybrid density functional with improved description of long-range correlation
T Benighaus, RA DiStasio, RC Lochan, JD Chai, M Head-Gordon
The Journal of Physical Chemistry A 112 (12), 2702-2712, 2008
1312008
Density functional theory with fractional orbital occupations
JD Chai
The Journal of Chemical Physics 136 (15), 154104, 2012
1092012
SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters
K Hui, JD Chai
The Journal of Chemical Physics 144 (4), 044114, 2016
1022016
Seeking for reliable double-hybrid density functionals without fitting parameters: the PBE0-2 functional
JD Chai, SP Mao
Chemical Physics Letters 538, 121-125, 2012
1002012
Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections
YS Lin, CW Tsai, GD Li, JD Chai
The Journal of Chemical Physics 136 (15), 154109, 2012
972012
Electronic Properties of Zigzag Graphene Nanoribbons Studied by TAO-DFT
CS Wu, JD Chai
Journal of Chemical Theory and Computation 11 (5), 2003-2011, 2015
732015
Optimal operators for Hartree–Fock exchange from long-range corrected hybrid density functionals
JD Chai, M Head-Gordon
Chemical Physics Letters 467 (1-3), 176-178, 2008
672008
Thermally-assisted-occupation density functional theory with generalized-gradient approximations
JD Chai
The Journal of Chemical Physics 140 (18), 18A521, 2014
542014
Dynamic structure factor of liquid and amorphous Ge from ab initio simulations
JD Chai, D Stroud, J Hafner, G Kresse
Physical Review B 67 (10), 104205, 2003
542003
Role of Kekulé and Non-Kekulé Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study
CN Yeh, JD Chai
Scientific Reports 6, 30562, 2016
522016
Restoration of the derivative discontinuity in Kohn-Sham density functional theory: an efficient scheme for energy gap correction
JD Chai, PT Chen
Physical Review Letters 110 (3), 033002, 2013
522013
Assessment of density functional methods with correct asymptotic behavior
CW Tsai, YC Su, GD Li, JD Chai
Physical Chemistry Chemical Physics 15 (21), 8352-8361, 2013
482013
Electronic Properties of Cyclacenes from TAO-DFT
CS Wu, PY Lee, JD Chai
Scientific Reports 6, 37249, 2016
452016
Orbital-free density functional theory: Kinetic potentials and ab initio local pseudopotentials
JD Chai, JD Weeks
Physical Review B 75 (20), 205122, 2007
432007
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