activity
20172023
most citedUnfolding optical transition weights of impurity materials for first-principles LCAO electronic structure calculations

6 citations · 8 across the 4 of their papers we have counts for

collaborators
Showing 2018Show all

2 papers · 1 filter

physics.comp-ph2018

Efficient O() divide-conquer method with localized natural orbitals

Taisuke Ozaki, Masahiro Fukuda, Gengping Jiang

An efficient O() divide-conquer (DC) method based on localized natural orbitals (LNOs) is presented for large-scale density functional theories (DFT) calculations of gapped and…

cond-mat.mtrl-sci2018

Tight-binding calculations of optical matrix elements for conductivity using non-orthogonal atomic orbitals: Anomalous Hall conductivity in bcc Fe

Chi-Cheng Lee, Yung-Ting Lee, Masahiro Fukuda +1

We present a general formula for the tight-binding representation of momentum matrix elements needed for calculating the conductivity based on the Kubo-Greenwood formula using atom…