Computational Quantum Dynamics （数値量子ダイナミクス）

• What's Computational Quantum Dynamics (CQD)?

（ 数値量子ダイナミクスとは何か？ ）
CQD is an approach to reveal the secret of the quantum world
by numerically integrating the Schroedinger equation descretized in real time (and in real space).
• Algorithms
• Particle Source Method (粒子源法)
• Order(N) Algorithms for Linear-Response Functions ( PS file ; draft for RIKEN Review)
• 日経産業新聞（1997.11.14（金) 、４面）
• Correlation functions for time-dependent calculation of linear-response functions, (Phys.Rev. E56 7318, 1997 ).
• Solving the time-dependent Schr?dinger equation numerically (Phys. Rev. E49 4684, 1994 )
• Calculating the density of states and linear response functions by the time-dependent Schroedinger equation, (Phys.Rev.E56 1222 (1997) )  Postscript File
• Computing the real-time Green's Functions of large Hamiltonian matrices,

High Performance Computing in RIKEN 1995 (ISSN-1342-3428), 241--247 (1996).
• Calculating the Eigenvalues of Large Hermitian Matrices

(collaboration with Dr. A.Mitsutake and Prof. Y.Okamoto )
• Applications
• Linear scaling calculation for optical-absorption spectra of large hydrogenated silicon nanocrystallites(S.Nomura et al., Phys. Rev. B56, 4348, 1997)
• Scheme for ab initio calculation of the Green function in large disordered systems with application to transport properties  (H.Tanaka, Phys.Rev. B57, 2168, 1998)
• FORTRAN Programs