Publications (23)
The ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale molecular magnet V15
Manabu Machida, Toshiaki Iitaka, Seiji Miyashita
Linear scaling calculation of a n-type GaAs quantum dot
Shintaro Nomura, Toshiaki Iitaka
Calculating response functions in time domain with non-orthonormal basis sets
Toshiaki Iitaka, Toshikazu Ebisuzaki
Superconductive "sodalite"-like clathrate calcium hydride at high pressures
Hui Wang, John S. Tse, Kaori Tanaka +2
Algorithm for Linear Response Functions at Finite Temperatures: Application to ESR spectrum of s=1/2 Antiferromagnet Cu benzoate
Toshiaki Iitaka, Toshikazu Ebisuzaki
First principles molecular dynamics study of filled ice hydrogen hydrate
Jingyun Zhang, Jer-Lai Kuo, Toshiaki Iitaka
Methane Hydrate under High Pressure: Searching for Centering of Hydrogen Bonds
Toshiaki Iitaka, Toshikazu Ebisuzaki
GdN thin-film: Chern Insulating State on Square Lattice
Zhi Li, Jinwoong Kim, Nicholas Kioussis +6
Correlation functions for time-dependent calculation of linear-response functions
Toshiaki Iitaka
Pressure-induced isostructural phase transition of metal-doped silicon clathrates
Toshiaki Iitaka
First Principles Calculation of Elastic Properties of Solid Argon at High Pressures
Toshiaki Iitaka, Toshikazu Ebisuzaki
Computing the real-time Green's Functions of large Hamiltonian matrices
Toshiaki Iitaka
First Principles Calculation of Helical Spin Order in Iron Perovskite SrFeO3 and BaFeO3
Zhi Li, Robert Laskowski, Toshiaki Iitaka +1
Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond
Takeo Hoshi, Toshiaki Iitaka, Maria Fyta
Stability of ferroelectric ice
Toshiaki Iitaka
Temperature dependence of ESR intensity for the nanoscale molecular magnet V15
Manabu Machida, Toshiaki Iitaka, Seiji Miyashita
Random phase vector for calculating the trace of a large matrix
Toshiaki Iitaka, Toshikazu Ebisuzaki
GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers
Toshiaki Iitaka
Calculating the linear response functions of non-interacting electrons by the time-dependent Schroedinger equation
Toshiaki Iitaka, Shintaro Nomura, Hideki Hirayama +3
The Chamomile Scheme: An Optimized Algorithm for N-body simulations on Programmable Graphics Processing Units
Tsuyoshi Hamada, Toshiaki Iitaka
Pressure Induced Ferromagnetism in Cubic Perovskite SrFeO3 and BaFeO3
Zhi Li, Toshiaki Iitaka, Takami Tohyama
Non-degenerate Two Photon Absorption Spectra of Si Nanocrystallites
Toshiaki Iitaka, Toshikazu Ebisuzaki
The impact of Hubbard- and van der Waals-corrections on the DFT calculation of epsilon-zeta transition pressure in solid oxygen
Le The Anh, Masahiro Wada, Hiroshi Fukui +1