87 citations · 222 across the 8 of their papers we have counts for
8 papers
An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system
T. Hoshi, S. Yamamoto, T. Fujiwara +2
A linear-algebraic theory called 'multiple Arnoldi method' is presented and realizes large-scale (order-N) electronic structure calculation with generalized eigen-value equations.…
Efficient and Accurate Linear Algebraic Methods for Large-scale Electronic Structure Calculations with Non-orthogonal Atomic Orbitals
H. Teng, T. Fujiwara, T. Hoshi +3
The need for large-scale electronic structure calculations arises recently in the field of material physics and efficient and accurate algebraic methods for large simultaneous line…
Linear Algebra and Charge Self-consistent Tight-binding Method for Large-scale Electronic Structure Calculations
T. Fujiwara, S. Yamamoto, T. Hoshi +7
We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simulta…
Domain boundary formation in helical multishell gold nanowire
Takeo Hoshi, Takeo Fujiwara
Helical multishell gold nanowire is studied theoretically for the formation mechanism of helical domain boundary. Nanowires with the wire length of more than 10 nm are relaxed by q…
Development of simulation package 'ELSES' for extra-large-scale electronic-structure calculation
Takeo Hoshi, Takeo Fujiwara
An early-stage version of simulation package ' ELSES' (Extra-Large-Scale Electronic-Structure calculation) is developed for electronic structure and dynamics of large systems, part…
A numerical method for calculating the Green's function arising from electronic structure theory
T. Sogabe, T. Hoshi, S. -L. Zhang +1
We developed a fast numerical methodfor complex symmetric shifted linear systems, which is motivated by the quantum-mechanical (electronic-structure) theory in nanoscale materials.…