activity
20212026
most citedOrder- orbital-free density-functional calculations with machine learning of functional derivatives for semiconductors and metals

31 citations · 31 across the 6 of their papers we have counts for

collaborators

6 papers

physics.comp-ph2026

Computing high-order mixed derivatives in physics-informed neural networks using multi-index Bell polynomials

Fumihiro Imoto

Physics-informed neural networks for high-order partial differential equations require mixed input derivatives and their gradients with respect to the network parameters. Standard…

physics.comp-ph2026

Self-consistent orbital-free nuclear density functional theory with a physics-constrained learned nonlocal kinetic energy functional

Fumihiro Imoto

Nonlocal kinetic-energy density functionals (KEDFs) can encode nuclear shell structure in orbital-free density functional theory (OFDFT), but self-consistency requires accurate fun…

physics.comp-ph2026

Semilocal exchange functionals from the exact-exchange condition for the hydrogen atom: Hydrogenic exactness and recovery of Rydberg-like bound states

Fumihiro Imoto

In semilocal density functionals the exchange potential decays too rapidly outside atoms and molecules and lacks the correct tail; as a consequence, functionals from PBE to…

physics.comp-ph2026

Analytic structure and asymptotic analysis of screened second-order exchange in the uniform electron gas

Fumihiro Imoto

The uniform electron gas underlies the local-density approximation of density-functional theory, yet correlation contributions beyond the random-phase approximation (RPA) are known…

cond-mat.str-el2025

Unified description of cuprate superconductors by fractionalized electrons emerging from integrated analyses of photoemission spectra and quasiparticle interference

Shiro Sakai, Youhei Yamaji, Fumihiro Imoto +6

Electronic structure of high-temperature superconducting cuprates is studied by analyzing experimental data independently obtained from two complementary spectroscopies, one, quasi…

physics.comp-ph202131 cited

Order- orbital-free density-functional calculations with machine learning of functional derivatives for semiconductors and metals

Fumihiro Imoto, Masatoshi Imada, Atsushi Oshiyama

Orbital-free density functional theory (OFDFT) offers a challenging way of electronic-structure calculations scaled as computation for system size . We here dev…