第14回 2001年 理化学研究所鈴木梅太郎ホール(早稲田大学) | |||||||
頁 | 氏名 | 所属 | 講演題目 | 早藤INDEX | 普通のINDEX | ||
物質 | 相 | 実験 | |||||
I-21 | 関根理香 | Shizuoka Univ. | Density functional study on Zn metal clusters | A-1 | α | G | I |
I-24 | 永禮三四郎 | Keio Univ. | Study on the band structure and impurity levels of ZnS:Mn phosphor | C-2 | α | S | IV |
I-28 | 伊藤伸一 | Kyoto Univ. of Edu. | Relativistic cluster calculation for rare earth doped GaAs | C-2 | α | S | I |
I-33 | 中津川博 | Yokohama Nat. Univ. | Electronic structure of Sr1-xLaxRuO3 | C-2 | α | S | IV |
I-35 | 福島公親 | Toshiba Co., IEC | Electronic structure calculations for antiferromagentic and thermoelectric properties | C-2 | α | S | IV |
I-40 | 高井健一 | Kwansei Gakuin Univ. | Crystal structure of refractry metal silicides for ULSI applications | C-3 | α | S | III |
I-45 | 湯川宏 | Nagoya Univ. | Local electronic structures of hydrogen and phase stability of vanadium hydride, V2H | C-3 | α | S | II |
I-50 | 平田勝 | JAERI | Electronic structure of Am and Eu with N donor ligands | B-1 | α | L | II |
I-52 | 高原渉 | Osaka Univ. | Electronic structure and superconducting transition temperature of Laves phase V2Zr compounds | B-3 | α | S | IV |
I-58 | 小野慎司 | Niigata Univ. | Studies on origin of superionicity using band calculation and DV-Xα method | C-3 | α | S | IV |
I-61 | 桑原彰秀 | Univ. of Tokyo | Local bonding state and ionic conductivity in FSZ | C-3 | α | S | IV |
I-66 | 佐々木晶邦 | Kyusyu Inst. of Tech. | In2O3 based diluted magnetic semiconductor | C-2 | α | S | IV |
I-70 | 吉野正人 | Nagoya Univ. | Protonic conductivity change with local electronic state around acceptor ions in perovskite-type oxide, SrZrO3 | C-3 | α | S | IV |
I-74 | 宮前亨 | Kyoto Univ. | Relativistic MO calculations with spin polarization on lanthanoid, actinoid compounds | A-1 | α | L | II |
I-78 | 申ウソク | AIST | Electronic structure of SrPbO3 | B-3 | α | S | IV |
I-80 | 飯高敏晃 | RIKEN | Order-N calculation of linear-response functions | A-0 | - | - | - |
I-84 | 向山毅 | Kansai Gaidai Univ. | Analytical wave functions for atoms by fitting numerical results with genetic algorithm | A-0 | - | - | - |
I-89 | 高橋靖彦 | AIST | Structure and electron density study of the orthorhombic LiMnO2 by X-ray structure analysis and first principle calculation | B-1 | α | S | IV |
I-94 | Dong Yoon Lee | Korea Electrotechnology Res. Inst. | Electronic Structure of IV-VI Compound Having Halite Structure, Calculated by DV- Xα Method | B-2 | α | S | IV |
I-99 | 酒井義之 | Ashiya Univ. | First-principles analysis of tunneling spectra for point defects on TiO2 (110) surface | C-2 | α | S | I |
I-104 | 大浜康彦 | Kwansei Gakuin Univ. | The electronic structures of defects in silicon clusters (1) | C-2 | α | S | IV |
I-109 | 江刺昇 | Kwansei Gakuin Univ. | The electronic structures of defects in silicon clusters (2) | C-3 | α | S | IV |
I-114 | Henry P. Pinto | Nagoya Univ. | Theoretical study of oxygen-vacancy defects in ferroelectric BaTiO3 | C-2 | α | S | IV |
I-118 | 横田周 | Univ. of Tokyo | Electronic structures of grain boundaries and high temperature deformation properties in oxide-doped 3Y-TZP | C-3 | α | S | III |
I-122 | 杉原淳 | Shonan Inst. of Tech. | Wetting property analysis of electrode metal and oxide ceramic at their interfaces using DV-Xα | C-3 | α | S | II |
I-126 | 田中久美子 | Shizuoka Univ. | Electronic study of ionic surface | C-1 | α | S | II |
I-129 | 森分博紀 | Matsushita Elec. Components Co., Ltd. | First principles calculations of formation energy of Cr vacancy in MgCr2O4 spinel | C-2 | α | S | IV |
I-133 | F. Pichierri | RIKEN | DFT-GGA Calculation of C2H on Pd (110) surface | C-2 | γ | S | II |
II-145 | YangSoo Kim | AIST | Li+ extraction with LiTm0.5Mn1.5O4 spinel in the aqueous phase (Tm = 3d transition metal) | C-3 | α | S | II |
II-150 | Takamasa Isobe | Shonan Inst. of Tech. | Theoretical study on wetting properties of TiO2 substrate with electrode metals | C-3 | α | S | II |
II-155 | Yoko Uchida | Hitachi, Co.,Ltd. | The density of states of Cu with stacking faults | C-1 | α | S | IV |
II-158 | Masafumi Matsui | Kyoto Univ. | First principles calculation of charge compensative mechanism in oxides | C-2 | α | S | IV |
II-163 | Toshiki Hara | RIKEN | Density-functional study on C60 photopolymerization | A-2 | β | G | II |
II-168 | Yi Liu | Nagoya Univ. | Electronic state of lithium in carbonaceous materials | C-3 | β | S | II |
II-173 | Tomohiko Ishii | Tokyo Metro. Univ. | Electronic structure and magnetic properties of metal porphyrins | B-2 | β | S | IV |
II-178 | Terumi Takeda | Ryukoku Univ. | Studies on molecular orbital calculations by the DV-Xα method and X-Ray photoelectron spectra of nickel(II) complexes. | A-2 | α | S | I |
II-183 | Yoshiyuki Nakajima | Rikenkeiki Co.,Ltd. | Near edge structure of porphyrin-complexes measured by PESA | A-2 | β | S | I |
II-186 | Takashi Segi | Osaka Univ. | Isomer shift and quadrupole splitting of iron bis(N,N-dithiocarbamate)X complex (X = NO, Cl, Br, I) | A-2 | α | S | IV |
II-191 | Hisao Yamashige | Fukuoka Univ. | The electron structure of Fe, CoTPP complexes using the DV-Xα calculation | A-2 | β | S | I |
II-195 | Yuki Iwata | Osaka Elec.-Commun. Univ. | Studies of the electronic structure of lithium compounds by means of XPS and DV-Xα method | B-2 | α | S | I |
II-200 | Moriyasu Nonaka | Kyushu Univ. | Electronic structure of Mn-doped ZnGa2O4 using cluster calculation | C-2 | α | S | I |
II-203 | Junichi Tsuji | Osaka Elec.-Commun. Univ. | Studies of the Li-K XANES spectra of various lithium compounds | B-2 | α | S | I |
II-208 | Youichi Fukuda | Kyoto Univ. | Analysis of Ni-L2,3 XANES in NiO by the first principles calculation | B-2 | α | S | I |
II-213 | Shuji Matsuo | Fukuoka Univ. | Al K-edge XANES spectral analyses of aqueous aluminum salt solutions by the DV-Xα calculation | B-2 | α | S | I |
II-218 | Daisuke Yamashita | Waseda Univ. | L X-ray spectra emitted from 3d transition elements | B-2 | α | S | I |
II-223 | Masaki Fujita | Shizuoka Univ. | Assignment of Ti K-edge XANES spectra of SrTiO3 | B-2 | α | S | I |
II-228 | Koji Fujimura | Kyoto Univ. | Relativistic multiplet calculations of absorption spectra for rare-earth-based solid-state laser materials | B-2 | α | S | I |
II-232 | Kentaro Kuramoto | Himeji Inst. of Tech. | Soft X-ray emission and absorption spectra in the O K reagion of aromatic compounds substituted with oxygenated functional groups | C-2 | α | S | I |
II-238 | Mitsutoshi Yokomizo | Fukuoka Univ. | DV-Xα XANES analysis for a Ni liquid metal complex | A-2 | α | S | I |
II-242 | Masahiro Kunisu | Kyoto Univ. | ELNES/XANES of ZnO and AlN polytypes | B-2 | α | S | I |
II-245 | Yoichi Fukuda | Kyoto Univ. | Interpretation of the profile changes in fluorine K edge X-ray absorption spectra | B-2 | α | S | I |
II-247 | Akio Shigemi | Kyoto Univ. | The dependence on geometry effect of Ni 2p XPS spectra | A-2 | α | S | I |
AQC | Don E. Ellis | Northwestern Univ. | Trying to uncover structure <=> functional relationships in complex systems | B-12 | αβ | S | II,III |
----- | Taketo Sakuma | Univ. of Tokyo | Localized quantum structure at ceramics grain boundary | C-3 | α | S | III |
----- | Kazuyoshi Ogasawara | Kyoto Univ. | Relativistic discrete variational multi-electron (DV-ME) method | B-2 | α | S | I |
----- | Takeshi Mukoyama | Kansai Gaikokugo Univ. | A new approach to electron transition during inner-shell ionization | A-0 | - | - | I |
----- | Laszlo Kover | ATOMKI, Hungary | Interpreting Auger spectra in cluster approximation | A-0 | - | - | I |
----- | Yasuji Muramatsu | JAERI | Theoretically predicted soft X-ray emission spectra of graphitic-structured BC2N | C-2 | α | S | I |
----- | E. Joseph Nordgren | Uppsala Univ. | Soft X-ray fluorescence and inelastic scattering studies of molecules and solids | AB-2 | - | SG | I |
----- | Mojmir Sob | Inst. of Phys. of Mater., Acad. of Sci. of the Czech Republic | Theoretical calculations of positron annihilation characteristics in inorganic solids ― recent advances and problems | C-1 | α | S | � |
----- | Masataka Mizuno | Osaka Univ. | Theoretical calculation of positron lifetimes for defects in solids | B-1 | α | S | � |
----- | Matti K. Alatalo | Helsinki Univ. of Tech. | Recent advances in the calculations for momentum distributions of annihilating electron-positron pairs in solids | C-1 | α | S | � |
----- | Yukinori Koyama | Kyoto Univ. | Factors determining intercalation voltages of lithium transition-metals oxides | B-1 | α | S | � |
----- | Hyunju Chang | Korea Res. Inst. of Chem. Tech. | Electronic structure of chromium aluminum oxynitride | C-2 | α | S | � |
----- | Fumiyasu Oba | Univ. of Tokyo | Geometric and electronic structure of grain boundaries in ZnO | C-1 | α | S | III |
----- | Tokuro Nanba | Okayama Univ. | XPS and DV-Xα studies on the electronic structure of silicate glasses | C-2 | α | S | � |
----- | Yoshiyuki Kowada | Hyogo Univ. of Teacher Edu. | Electronic state of super-ionic conductors | C-3 | α | S | IV |
----- | Naoki Ohashi | Adv. Mater. Lab., Nat. Inst. for Mater. Res. | Quantum chemical approach to interfaces and surfaces of ceramics | C-2 | α | S | IV,I |
----- | Martin Head-Gordon | U. C. Berkeley | Fast methods for density functional theory calculation | A-0 | - | - | - |
----- | Takugo Ishii | Kyoto Univ. | Many-electron calculation for the analysis of the optical absorption spectra on impurity-metal center | B-2 | α | S | � |
----- | Pablo Ordejon | Inst. de Ciencia de Barcelona | First principles DFT calculations of electronic transport in molecular and nano-scale devices | B-3 | α | S | IV |
----- | Agnes Nagy | Debrecen Univ. | Excited states in the density functional theory | A-0 | - | - | - |
----- | Tomoyuki Yamamoto | RIKEN | First principles calculations of lower-mantle minerals at high pressure | C-2 | α | S | III |
----- | Erkki J. Brandas | Uppsala Univ., the editor of the Adv. Quantum Chem. | Prorate spheroidal wavefunctions for signal processing | A-0 | - | - | - |
第14回国際ワークショップの報告書のうち「AQC」と記載されているものに関しては、 | |||||||
会報ではなく、Advances Quantum Chemistryから出版されるProceedingsに掲載されます。 |
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ご意見、ご要望などは下記のアドレスにメールをください。
ykowada@sci.hyogo−u.ac.jp
更新日 02.10.10
名前 Yoshiyuki Kowada