Zobrazeno 1 - 10
of 3 191
pro vyhledávání: '"Hoshi, T."'
Publikováno v:
In Journal of Crystal Growth 1 February 2021 555
Publikováno v:
J. Phys.: Condens. Matter 24, 165502, 5pp (2012)
A linear-algebraic theory called 'multiple Arnoldi method' is presented and realizes large-scale (order-N) electronic structure calculation with generalized eigen-value equations. A set of linear equations, in the form of (zS-H) x = b, are solved sim
Externí odkaz:
http://arxiv.org/abs/1202.0098
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 linear equations become greatly important. We investigate the generalized
Externí odkaz:
http://arxiv.org/abs/1101.4768
Autor:
Fujiwara, T., Yamamoto, S., Hoshi, T., Nishino, S., Teng, H., Sogabe, T., Zhang, S. -L., Ikeda, M., Nakashima, M., Watanabe, N.
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 simultaneous linear equations. The electronic structure calculation method is
Externí odkaz:
http://arxiv.org/abs/1002.1202
We consider the solution of complex symmetric shifted linear systems. Such systems arise in large-scale electronic structure simulations and there is a strong need for the fast solution of the systems. With the aim of solving the systems efficiently,
Externí odkaz:
http://arxiv.org/abs/0902.2614
We developed a fast numerical methodfor complex symmetric shifted linear systems, which is motivated by the quantum-mechanical (electronic-structure) theory in nanoscale materials. The method is named shifted Conjugate Orthogonal Conjugate Gradient (
Externí odkaz:
http://arxiv.org/abs/math/0602652
Publikováno v:
Physica B 376-377, pp.975-978 (2006)
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 silicon is investigated by molecular dynamics simulation with 10-nm-sca
Externí odkaz:
http://arxiv.org/abs/cond-mat/0508277
Publikováno v:
Phys. Rev. B 73, 165108 (2006)
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the density matrix w
Externí odkaz:
http://arxiv.org/abs/cond-mat/0503394
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 1999 Jun . 96(13), 7581-7586.
Externí odkaz:
https://www.jstor.org/stable/48102
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 1998 Sep . 95(20), 11703-11708.
Externí odkaz:
https://www.jstor.org/stable/49251