473 citations · 985 across the 27 of their papers we have counts for
4 papers · 1 filter
First-principles electronic structure investigation of HgBaCaCuO with the SCAN density functional
Alpin N. Tatan, Jun Haruyama, Osamu Sugino
We perform first-principles calculation to study the electronic structure of HgBaCaCuO copper oxides up to for the undoped parent compound $(…
Four-body correlation embedded in antisymmetrized geminal power wave function
Airi Kawasaki, Osamu Sugino
We extend the Coleman's antisymmetrized geminal power (AGP) to develop a wave function theory that can incorporate up to four-body correlation in a region of strong correlation. To…
Band Gap of β-PtO2 from First-principles
Yong Yang, Osamu Sugino, Takahisa Ohno
We studied the band gap of β-PtO2 using first-principles calculations based on density functional theory (DFT). The results are obtained within the framework of generalized gradien…
Possible Magnetic Behavior in Oxygen-deficient β-PtO2
Yong Yang, Osamu Sugino, Takahisa Ohno
We studied the electronic properties of beta-platinum dioxide (β-PtO2), a catalytic material, based on density functional theory. Using the GGA+U method which reproduces the GW ban…