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No. Name File Name Size
Introduction 29_001.pdf 36538 bytes
Opening address 29_003.pdf 28092 bytes
Understanding electronic promotion and poisoning with the Harris functional 29_005.pdf 779429 bytes
Defects and dynamics at oxide surfaces from first principles 29_008.pdf 17268 bytes
First-principles study of chemical reactions at metal surfaces 29_009.pdf 1844904 bytes
First-principles DFT study of ethylene adsorption on Pd(110) 29_012.pdf 858104 bytes
Separation of procedures in numerics 29_014.pdf 55388 bytes
The forced oscillator method : its applications to physical systems 29_016.pdf 159355 bytes
Efficient scheme to calculate Green functions by recursive polynomial expansion 29_020.pdf 210608 bytes
Calculating response functions in time domain with non-orthonormal basis sets 29_025.pdf 124897 bytes
Calculation of linear/non-linear optical response functions of large quantum systems by real-time real-space higher-order finite-difference method 29_029.pdf 211887 bytes
Path-integral simulation of solid hydrogen under high pressure 29_033.pdf 31851 bytes
Elastic properties as a pointer to phase transitions 29_034.pdf 164775 bytes
First principle calculations of materials deep inside the earth 29_039.pdf 121294 bytes
Large scale DFT calculations with SIESTA 29_042.pdf 87159 bytes
Wannier states in order-N electronic-structure method 29_045.pdf 81489 bytes
Time-dependent density functional molecular dynamics simulation 29_047.pdf 64860 bytes
Embedding methods for large-scale surface calculations 29_049.pdf 107458 bytes
The photo-spintronics : a possible way to quantum devices 29_052.pdf 17490 bytes
Numerical simulation of quantum dynamics in dissipative environment : study of resonant tunneling of nanoscale molecule magnets 29_053.pdf 111548 bytes
Molecules in intense laser fields : from Coulomb explosion to high order harmonic generation 29_055.pdf 162180 bytes
Development of a dual transformation method and its application to electronic and nuclear dynamics in intense laser fields 29_060.pdf 2459594 bytes
Harmonic generation by atoms interacting with intense ultrashort laser pulses 29_066.pdf 133906 bytes
Fast and stable method for simulating quantum electron dynamics 29_070.pdf 258141 bytes
Wave-packet dynamics by optimized polynomials methods 29_073.pdf 332018 bytes
Linear scaling computation of excited states 29_077.pdf 98520 bytes
Decoherence of the field state in the single-mode laser 29_080.pdf 267823 bytes
Ab Initio calculations of the molecular switching mechanism of Ras p21 29_085.pdf 3643392 bytes
Silver-induced reconstruction of Ge(001) using first-principle calculation 29_088.pdf 113132 bytes
α-helix propensities of homo-oligomers in aqueous solution studied by multicanonical simulations 29_091.pdf 36470 bytes
Path integral molecular dynamics for Bose-Einstein and Fermi-Dirac statistics 29_092.pdf 103941 bytes
First-principles molecular dynamics simulations of structural phase transitions in Si 29_094.pdf 101182 bytes
Calculations for a delta function of Hamiltonian by the Suzuki-Trotter decomposition 29_097.pdf 128960 bytes
Protein hydrolysis mechanism of HIV-1 protease : investigation by the ab initio MO calculations 29_100.pdf 239273 bytes
Structural and electronic properties of compressed selenium and tellurium under high pressure 29_103.pdf 88154 bytes
Applications of O(N) methods to linear response coeffecients 29_106.pdf 132615 bytes
Reports on Riken symposia 29_109.pdf 14102 bytes
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