Jeng-Da Chai
- Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections
2012/11/06 by You-Sheng Lin, Guan-De Li, Shan-Ping Mao +1 · 1 citation
Physics and Astronomy · #physics.chem-ph #cond-mat.mtrl-sci #physics.comp-ph #quant-ph
- Density functional theory with fractional orbital occupations
2012/01/31 by Jeng-Da Chai, Jeng‐Da Chai · 3 citations
Chemistry · Materials Science · Physics and Astronomy · #Ab initio #Advanced Chemical Physics Studies #Atomic physics #Bond-dissociation energy #Chemistry #Computational chemistry #Density functional theory #Excited state #Formalism (music) #Fullerene Chemistry and Applications #Local-density approximation #Machine Learning in Materials Science #Molecular physics #Molecule #Physics #Quantum mechanics #Singlet state #Time-dependent density functional theory #cond-mat.mtrl-sci #physics.chem-ph #physics.comp-ph #quant-ph
- Orbital-free density functional theory: Kinetic potentials andab initiolocal pseudopotentials
2007/04/14 by Jeng-Da Chai, Jeng‐Da Chai, John D. Weeks +1 · 1 citation
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Spectroscopy and Quantum Chemical Studies #cond-mat.mtrl-sci #cond-mat.str-el