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Han-Seok Bae
Han-Seok Bae
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Koopmans’-type theorem in Kohn–Sham theory with optimally tuned long-range-corrected (LC) functionals
K Hirao, HS Bae, JW Song, B Chan
The Journal of Physical Chemistry A 125 (16), 3489-3502, 2021
172021
Charge-transfer excitation energies expressed as orbital energies of Kohn–Sham density functional theory with long-range corrected functionals
K Hirao, B Chan, JW Song, HS Bae
The Journal of Physical Chemistry A 124 (39), 8079-8087, 2020
162020
Core-level excitation energies of nucleic acid bases expressed as orbital energies of the Kohn–Sham density functional theory with long-range corrected functionals
K Hirao, T Nakajima, B Chan, JW Song, HS Bae
The Journal of Physical Chemistry A 124 (50), 10482-10494, 2020
102020
Vertical ionization potential benchmarks from Koopmans prediction of Kohn–Sham theory with long-range corrected (LC) functional
K Hirao, HS Bae, JW Song, B Chan
Journal of Physics: Condensed Matter 34 (19), 194001, 2022
82022
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