61 citations · 67 across the 2 of their papers we have counts for
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cond-mat.mtrl-sci2005★ 6 cited
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…
cond-mat.mtrl-sci2005★ 61 cited
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…
cond-mat.mtrl-sci2004
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.…