Toward the complete range separation of non-hybrid exchange-correlation functional. - Bun Chan; Jong-Won Song; Yukio Kawashima; Kimihiko Hirao (J. Comput. Chem., 2015)

On the inclusion of post-MP2 contributions to double-Hybrid density functionals. - Bun Chan; Lars Goerigk; Leo Radom (J. Comput. Chem., 2016)

Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlations. - Bun Chan; Jong-Won Song; Yukio Kawashima; Kimihiko Hirao (J. Comput. Chem., 2016)

Correlation functional in screened-exchange density functional theory procedures. - Bun Chan; Yukio Kawashima; Kimihiko Hirao (J. Comput. Chem., 2017)

The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory Method. - Bun Chan; Yukio Kawashima; Kimihiko Hirao (J. Comput. Chem., 2019)

An ONIOM investigation of the effect of conformation on bond dissociation energies in peptides. - Bun Chan; Leo Radom (J. Comput. Chem., 2019)

Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals. - Kimihiko Hirao; Bun Chan; Jong-Won Song; Kamala Bhattarai; Subrata Tewary (J. Comput. Chem., 2020)

Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic-type reactions. - Simone L. Waite; Amir Karton; Bun Chan; Alister J. Page (J. Comput. Chem., 2021)

Assessment of DLPNO-CCSD(T)-F12 and its use for the formulation of the low-cost and reliable L-W1X composite method. - Bun Chan; Amir Karton (J. Comput. Chem., 2022)

The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy. - Kimihiko Hirao; Takahito Nakajima; Bun Chan; Ho-Jin Lee (J. Comput. Chem., 2024)

Limiting factors in the accuracy of DFT calculation for redox potentials. - Bun Chan (J. Comput. Chem., 2024)