All Stories

  1. Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation

    Article • The Journal of Chemical Physics, August 2020, American Institute of Physics

    Jeng-Da Chai

  2. Thermoelectric properties, phonon, and mechanical stability of new half-metallic quaternary Heusler alloys: FeRhCrZ (Z = Si and Ge)

    Article • Journal of Applied Physics, April 2020, American Institute of Physics

    Jeng-Da Chai

  3. Assessment of density functional methods for exciton binding energies and related optoelectronic properties

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Jeng-Da Chai

  4. Assessment of asymptotically corrected model potentials for charge-transfer-like excitations in oligoacenes

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Jeng-Da Chai

  5. Significant role of the DNA backbone in mediating the transition origin of electronic excitations of B-DNA – implication from long range corrected TDDFT and quantified NTO analysis

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Jeng-Da Chai, Mr Jian-Hao Li