Takeshi Yanai

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.4K citations

Engineering, Physics, Natural Sciences +6

A long-range correction scheme for generalized-gradient-approximation exchange functionals

Hisayoshi Iikura, Takao Tsuneda, Takeshi Yanai et al. · The Journal of Chemical Physics · 2001 · 2.3K citations

Numerical Analysis, Engineering, Variational Analysis +19

A long-range-corrected time-dependent density functional theory

Yoshihiro Tawada, Takao Tsuneda, Susumu Yanagisawa et al. · The Journal of Chemical Physics · 2004 · 1.9K citations

Poor Tddft Results, Excited State Property, Engineering +14

A pentanuclear iron catalyst designed for water oxidation

Masaya Okamura, Mio Kondo, Reiko Kuga et al. · Nature · 2016 · 516 citations

Oxygen Reduction Reaction, Catalysis, Chemistry +2

Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene

Debashree Ghosh, Johannes Hachmann, Takeshi Yanai et al. · The Journal of Chemical Physics · 2008 · 337 citations · Full text

Excited State Property, Localized Excited State, Engineering +14