61 citations · 115 across the 4 of their papers we have counts for
4 papers
Large-scale electronic-structure theory and nanoscale defects formed in cleavage process of silicon
T. Hoshi, R. Takayama, Y. Iguchi +1
Several methods are constructed for large-scale electronic structure calculations. Test calculations are carried out with up to 10^7 atoms. As an application, cleavage process of s…
Linear Algebraic Calculation of Green's function for Large-Scale Electronic Structure Theory
R. Takayama, T. Hoshi, T. Sogabe +2
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an itera…
Krylov Subspace Method for Molecular Dynamics Simulation based on Large-Scale Electronic Structure Theory
Ryu Takayama, Takeo Hoshi, Takeo Fujiwara
For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian.…
Single Impurity Anderson Model with Coulomb Repulsion between Conduction Electrons on the Nearest-Neighbour Ligand Orbital
Ryu Takayama, Osamu Sakai
We study how the Kondo effect is affected by the Coulomb interaction between conduction electrons on the basis of a simplified model. The single impurity Anderson model is extended…