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OUR MAIN OBJECTIVE IS
TO PREDICT BETTER
MATERIALS BASED ON THE
KNOWLEDGE ACQUIRED BY
THEORETICAL STUDY
The NATIONAL INSTITUTE for MATERIALS SCIENCE (NIMS) is a research institution specializing in the research of metals, organic and inorganic materials. It is located in Tsukuba in Ibaragi prefecture, 75km north of Tokyo, Japan.
Publications:
- 79.
Junjie Wang, Naoto Umezawa* and Hideo Hosono,
"Mixed Valence Tin Oxides as Novel van der Waals Materials: Theoretical Predictions and Potential Applications” Adv. Energy Mater. 2015, DOI: 10.1002/aenm.201501190. - 78.
Shunsuke Yagi, Ikuya Yamada, Hirofumi Tsukasaki, Akihiro Seno, Makoto Murakami, Hiroshi Fujii, Hungru Chen, Naoto Umezawa, Hideki Abe, Norimasa Nishiyama and Shigeo Mori,
"Covalency-reinforced oxygen evolution reaction catalyst” Nat. Commun., 2015, DOI: 10.1038/ncomms9249. - 77.
Akira Yoko, Makoto Akizuki, Naohisa Hirao, Shinji Kohara, Mukesh Kumar, Naoto Umezawa, Takahisa Ohno and Yoshito Oshima,
"In situ synchrotron high-energy X-ray diffraction for elucidation of millisecond-order dynamics of the formation of barium zirconate nanoparticles in supercritical water” J. Supercritical Fluids, doi:10.1016/j.supflu.2015.08.002 - 76.
Hungru Chen, James A. Dawson and Naoto Umezawa,
"Anisotropic nature of anatase TiO2 and its (001) surface electronic states” Phys. Rev. Appl. 4, 014007, 2015. - 75.
Peng Li, Wei Zhou, Xin Wang, Yan Zhang, Naoto Umezawa*, Hideki Abe*, Jinhua Ye and Defa Wang,
"Effects of cation concentration on photocatalytic performance over magnesium vanadates” Appl. Phys. Lett. Mater. 3, 104405, 2015. - 74.
Wenqiang Dang, Hungru Chen, Naoto Umezawa* and Junying Zhang*,
"Electronic Structures of Anatase (TiO2)1-x(TaON)x Solid Solutions: First-Principles Study” Phys. Chem. Chem. Phys., 17, 17980-17988, 2015. - 73.
Wei Zhou and Naoto Umezawa*,
"Band gap engineering of bulk and nanosheet SnO: and insight into the interlayer Sn-Sn lone pair interactions” Phys. Chem. Chem. Phys., 17, 17816-17820, 2015. - 72.
Peng Li, Naoto Umezawa*, Hideki Abe* and Jinhua Ye,
"Novel visible-light sensitive vanadate 1 photocatalysts for water oxidation: implications from density functional theory calculations", J. Mater. Chem. A 3, 10720-10723, 2015. - 71.
Rajesh Kodiyath, Gubbala V. Ramesh, Eva Koudelkova, Toyokazu Tanabe, Mikio Ito, Maidhily Manikandan, Shigenori Ueda, Takeshi Fujita, Naoto Umezawa, Hidenori Noguchi, Katsuhiko Arigad and Hideki Abe,
"Promoted C–C bond cleavage over intermetallic 1 TaPt3 catalyst toward low-temperature energy extraction from ethanol"
Energy & Environmental Science 8, 1685-1689, 2015. - 70.
Hungru Chen and Naoto Umezawa,
"Artificial layered perovskite oxides A(B0.5B′0.5)O3 as potential solar energy conversion materials"
J. Appl. Phys. 117, 055106 (1-5), 2015 - 69.
Pakpoom Reunchan and Naoto Umezawa,
"Sulfur and Silicon Doping in Ag3PO4"
J. Phys. Chem. C, 119, 2284-2289, 2015 - 68.
Mukesh Kumar, Naoto Umezawa and Motoharu Imai,
"Structural, electronic and optical characteristics of SrGe2 and BaGe2: A combined experimental and computational study"
J. Alloys and Compounds 630, 126-132, 2015 - 67.
Jian Ren, Shuxin Ouyang , Hungru Chen , Naoto Umezawa , Da Lu , Defa Wang, Hua Xu and Jinhua Ye,
"Effective Mineralization of Organic Dye under Visible-Light Irradiation over Electronic-Structure-Modulated Sn(Nb1-xTax)2O6 Solid Solutions"
Applied Catalysis B: Environmental, 168-169, 243-249, 2015 - 66.
Ming Zhao, Hua Xu, Hungru Chen, Shuxin Ouyang, Naoto Umezawa, Defa Wang and Jinhua Ye,
"Photocatalytic reactivity of {121} and {211} facets of brookite TiO2 crystals"
J. Mater. Chem. A, 3, 2331-2337, 2015 - 65.
Hideki Abe, Hideki Yoshikawa, Naoto Umezawa, Ya Xu, Govindachetty Saravanan, Gubbala V. Ramesh, Toyokazu Tanabe, Rajesh Kodiyath, Shigenori Ueda, Nobuaki Sekido, Yoko Yamabe-Mitarai, Masahiko Shimoda, Takahisa Ohno, Futoshi Matsumot and Takayuki Komatsu,
"Correlation between the Surface Electronic Structure and CO-oxidation Activity of Pt Alloys"
Phys. Chem. Chem. Phys., 17, 4879-4887, 2015
- 64.
Mohamed B. Zakaria, Ming Hu, Masataka Imura, Rahul R. Salunkhe, Naoto Umezawa, Hicham Hamoudi, Alexei A. Belik and Yusuke Yamauchi,
"Single-Crystal-like Nanoporous Spinel Oxides: A Strategy for Synthesis of Nanoporous Metal Oxides Utilizing Metal-Cyanide Hybrid Coordination Polymers"
Chemistry A European Journal, 20, 17375-17384, 2014 - 63.
Gubbala V. Ramesh, Rajesh Kodiyath, Toyokazu Tanabe, Maidhily Manikandan, Takeshi Fujita, Naoto Umezawa, Shigenori Ueda, Shinsuke Ishihara, Katsuhiko Ariga and Hideki Abe,
"Stimulation of Electro-oxidation Catalysis by Bulk-Structural Transformation in Intermetallic ZrPt3 Nanoparticles"
ACS Applied Materials & Interfaces, 6, 16124-16130, 2014. - 62.
Hungru Chen and Naoto Umezawa,
"Sensitization of Perovskite Strontium Stannate SrSnO3 towards Visible-Light Absorption by Doping"
International Journal of Photoenergy - 61.
Hungru Chen and Naoto Umezawa,
"Effect of cation arrangement on the electronic structures of the perovskite solid solutions (SrTiO3)1-x(LaCrO3)x from first principles"
Phys. Rev. B 90 (4), 045119 (1-7), 2014. - 60.
Hungru Chen and Naoto Umezawa,
"Hole localization, migration, and the formation of peroxide anion in perovskite SrTiO3"
Phys. Rev. B 90 (3), 035202 (1-5), 2014. - 59.
Mukesh Kumar, Naoto Umezawa and Motoharu Imai,
"BaSi2 as a promising low-cost, earth-abundant material with large optical activity for thin-film solar cells: a hybrid density functional study"
Applied Physics Express 7, 071203, 2014. - 58.
Mukesh Kumar, Naoto Umezawa and Motoharu Imai,
"(Sr,Ba)(Si,Ge)2 for thin-film solar-cell applications: First-principles study"
J. Appl. Phys. 115, 203718, 2014. - 57.
Hua Xu, Shuxin Ouyang, Lequan Liu, Pakpoom Reunchan, Naoto Umezawa and Jinhua Ye,
"Recent advances in TiO2-based photocatalysis"
J. Mater. Chem. A, 2, 12642-12661, 2014. - 56.
Lequan Liu, Peng Li, Boonchun Adisak, Shuxin Ouyang,Naoto Umezawa, Jinhua Ye, Rajesh Kodiyath, Toyokazu Tanabe, Gubbala V. Ramesh, Shigenori Ueda and Hideki Abe,
"Gold photosensitized SrTiO3 for visible-light water oxidation induced by Au interband transitions
J. Mater. Chem. A, 2, 9875-9882, 2014. - 55.
Francis Malar Auxilia, Shinsuke Ishihara, Saikat Mandal, Toyokazu Tanabe, Govindachetty Saravanan, Gubbala V. Ramesh, Naoto Umezawa, Toru Hara, Ya Xu, Shunichi Hishita, Yusuke Yamauchi, Arivuoli Dakshanamoorthy, Jonathan P. Hill, Katsuhiko Ariga and Hideki Abe,
"Low-Temperature Remediation of NO Catalyzed by Interleaved CuO Nanoplates"
Adv. Mater. 26, 4481-4485, 2014. - 54.
Peng Li, Hua Xu, Lequan Liu, Tetsuya Kako, Naoto Umezawa, Hideki Abe and Jinhua Ye,
"Constructing cubic-orthorhombic surface-phase junctions of NaNbO3 towards significant enhancement of CO2 photoreduction"
J. Mater. Chem. A, 2, 5606-5609, 2014. - 53.
Maidhily Manikandan, Toyokazu Tanabe, Peng Li, Shigenori Ueda, Gubbala V. Ramesh, Rajesh Kodiyath, Junjie Wang, Toru Hara, Arivuoli Dakshanamoorthy, Shinsuke Ishihara, Katsuhiko Ariga, Jinhua Ye, Naoto Umezawa and Hideki Abe,
"Photocatalytic Water Splitting under Visible Light by Mixed-Valence Sn3O4"
ACS Applied Materials & Interfaces, 6, 3790-3793, 2014.
- 52.
David James Martin, Naoto Umezawa, Xiaowei Chen, Jinhua Ye and Junwang Tang,
"Facet engineered Ag3PO4 for efficient water photooxidation"
Energy & Environmental Sci. 6, 3380-3386 (2013). - 51.
Pakpoom Reunchan and Naoto Umezawa,
"Native defects and hydrogen impurities in Ag3PO4"
Phys. Rev. B 87 (24), 245205 (1-5), 2013. - 50.
Adisak Boonchun, Naoto Umezawa, Takahisa Ohno, Shuxin Ouyang and Jinhua Ye,
"Role of photoexcited electrons in hydrogen evolution from platinum co-catalysts loaded on anatase TiO2: First-principles study"
Journal of Materials Chemistry A, 1, 6664-6669, 2013. - 49.
Pakpoom Reunchan, Shuxin Ouyang, Naoto Umezawa, Hua Xu, Yuanjian Zhang and Jinhua Ye,
"Theoretical design of highly active SrTiO3-based photocatalysts by a codoping scheme towards solar energy utilization for hydrogen production"
Journal of Materials Chemistry A, 1, 4221-4227, 2013 - 48.
Hua Xu, Pakpoom Reunchan, Shuxin Ouyang, Hua Tong, Naoto Umezawa, Tetsuya Kako and Jinhua Ye,
"Anatase TiO2 single crystals exposed with high-reactive {111} facets toward efficient H2 evolution"
Chemistry of Materials, 25, 405-411, 2013. - 47.
Tetsuya Kako, Naoto Umezawa, Kui Xie and Jinhua Ye,
"Undoped visible-light-sensitive titania photocatalyst"
J. Mater. Sci. 48, 108-114, 2013
- 46.
Naoto Umezawa and Jinhua Ye,
"Role of complex defects in photocatalytic activities of nitrogen-doped anatase TiO2"
Phys. Chem. Chem. Phys. 14, 5924-5934, 2012 - 45.
Shuxin Ouyang, Hua Tong, Naoto Umezawa, Junyu Cao, Peng Li, Yingpu Bi, Yuanjian Zhang and Jinhua Ye,
"Surface-Alkalinization-Induced Enhancement of Photocatalytic H2 Evolution over SrTiO3-Based Photocatalysts"
J. Am. Chem. Soc. 134, 1974-1977, 2012 - 44.
Naoto Umezawa and Kenji Shiraishi,
"Theoretical model for artificial structure modulation of HfO2/SiOx/Si interface by deposition of a dopant material"
Appl. Phys. Lett. 100 (9), 092904 (1-4), 2012 - 43.
Pakpoom Reunchan, Naoto Umezawa, Shuxin Ouyang and Jinhua Ye,
"Mechanism of photocatalytic activities in Cr-doped SrTiO3 under visible-light irradiation: an insight from hybrid density-functional calculations"
Phys. Chem. Chem. Phys. 14, 1876-1880, 2012 - 42.
Hua Tong, Shuxin Ouyang, Yingpu Bi, Naoto Umezawa, Mitsutake Oshikiri and Jinhua Ye,
"Nano-photocatalytic Materials: Possibilities and Challenges"
Adv. Mater. 24, 229-251, 2012
- 41.
Kui Xie, Naoto Umezawa, Ning Zhang, Pakpoom Reunchan, Yuanjian Zhang and Jinhua Ye,
"Self-doped SrTiO3-δ photocatalyst with enhanced activity for artificial photosynthesis under visible light"
Energy & Environmental Science 4, 4211-4219, 2011 - 40.
Katsumasa Kamiya, Naoto Umezawa and Susumu Okada, "Energetics and electronic structure of graphene adsorbed on HfO2 surface: Density functional theory calculations" Phys. Rev. B 83 (15), 153413 (1-4), 2011
- 39.
Yingpu Bi, Shuxin Ouyang, Naoto Umezawa, Junyu Cao and Jinhua Ye,
"Facet effect of single-crystalline Ag3PO4 Sub-microcrystals on Photocatalytic Properties"
J. Am. Chem. Soc. 133 , 6490-6492, 2011 - 38.
Hua Tong, Naoto Umezawa, Jinhua Ye and Takahisa Ohno,
"Electronic coupling assembly of semiconductor nanocrystals: self-narrowed band gap to promise solar energy utilization"
Energy & Environmental Sci. 4, 1684-1689, 2011 - 37.
Hua Tong, Naoto Umezawa and Jinhua Ye,
"Visible light photoactivity from a bonding assembly of titanium oxide nanocrystals"
Chem. Commun. 47, 4219-4221, 2011 - 36.
Naoto Umezawa, Ouyang Shuxin and Jinhua Ye,
"Theoretical study of high photocatalytic performance of Ag3PO4"
Phys. Rev. B83(3), 035202 (1-8), 2011
- 35.
Naoto Umezawa and Kenji Shiraishi,
"Origin of high solubility of silicon in La2O3: A first-principles study"
Appl. Phys. Lett. 97(20), 202906 (1-3), 2010 - 34.
Naoto Umezawa, "Effects of capping HfO2 with multivalent oxides toward reducing the number of charged defects"
Appl. Phys. Lett. 96(2), 162906 (1-3), 2010 - 33.
Hiroyoshi Momida, Eric Cockayne, Naoto Umezawa and Takahisa Ohno,
"Computational study of the dielectric properties of [La, Sc]2O3 solid solutions"
J. Appl. Phys. 107(7), 074104 (1-3), 2010 - 32.
A. Janotti, J. B. Varley, P. Rinke, N. Umezawa, G. Kresse and C. G. Van de Walle,
"Hybrid functional studies of the oxygen vacancy in TiO2"
Phys. Rev. B 81(8), 085212 (1-7), 2010
- 31.
Naoto Umezawa, "Effects of barium incorporation into HfO2 gate dielectrics on reduction in charged defects: First-principles study"
Appl. Phys. Lett. 94(2), 022903(1-3), 2009 - 30.
Mitsutake Oshikiri, Mauro Boero, Akiyuki Matsushita and Jinhua Ye, "Water Molecule Adsorption Properties on Surfaces of MVO4 (M=In, Y, Bi) Photo-catalysts"
Journal of Electroceramics, 22, 114-119, 2009 - 29.
Mitsutake Oshikiri, Mauro Boero, Akiyuki Matsushita and Jinhua Ye, "Water adsorption onto Y and V sites at the surface of the YVO4 photo-catalyst and related electronic properties"
The Journal of Chemical Physics, 131, 034701, 2009
- 28.
Mitsutake Oshikiri, Mauro Boero, Akiyuki Matsushita and Jinhua Ye,
"Dissociation of water molecule at three-fold oxygen coordinated V site on the InVO4 (001) surface"
Applied Surface Science, 255, 679-681, 2008 - 27.
Naoto Umezawa, Motoyuki Sato and Kenji Shiraishi
"Reduction in charged defects associated with oxygen vacancies in hafnia by magnesium incorporation: First-principles study"
Appl. Phys. Lett. 93(22), 223104(1-3), 2008 - 26.
Naoto Umezawa, Kenji Shiraishi, Yasushi Akasaka, Atsushi Oshiyama, Seiji Inumiya, Seiichi Miyazaki, Kenji Ohmori, Toyohiro Chikyow, Takahisa Ohno, Kikuo Yamabe, Yasuo Nara and Keisaku Yamada
"Chemical controllability of charge states of nitrogen-related defects in HfOxNy: First-principles calculations"
Phys. Rev. B 77(16), 165130(1-6), 2008 - 25.
Naoto Umezawa, Anderson Janotti, Patrick Rinke, Toyohiro Chikyow and Chris G. Van de Walle "Optimizing optical absorption of TiO2 by alloying with TiS2"
Appl. Phys. Lett. 92(4), 041104(1-3), 2008 - 24.
Naoto Umezawa,
"Local-density approximation for orbital densities applied to the self-interaction correction"
J. Chem. Phys. 128(4), 044105(1-8), 2008 - 23.
Kentaro Doi, Yutaka Mikazuki, Shinya Sugino, Tatsuki Doi, Pawel Szarek, Masato Senami, Kenji Shiraishi, Hiroshi Iwai, Naoto Umezawa, Toyohiro Chikyo, Keisaku Yamada and Akitomo Tachibana,
"Electronic Structure Study of Local Dielectric Properties of Lanthanoid Oxide Clusters"
Jpn. J. Appl. Phys. 47(1), 205 - 211, 2008
- 22.
Naoto Umezawa, Kenji Shiraishi, Shinya Sugino, Akitomo Tachibana, Kenji Ohmori, Kuniyuki Kakushima, Hiroshi Iwai, Toyohiro Chikyow, Takahisa Ohno, Yasuo Nara and Keisaku Yamada,
"Suppression of oxygen vacancy formation in Hf-based high-k dielectrics by lanthanum incorporation"
Appl. Phys. Lett. 91(13), 132904(1-3), 2007 - 21.
Naoto Umezawa, Kenji Shiraishi, Seiichi Miyazaki, Takahisa Ohno, Toyohiro Chikyow, Keisaku Yamada and Yasuo Nara,
"Hafnium 4f Core-level Shifts Caused by the Nitrogen Incorporation in Hf-based High-k Gate Dielectrics"
Jpn. J. Appl. Phys. 46(6A), 3507-3509, 2007 - 20.
Naoto Umezawa, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta and Fuyuki Shimojo,
"RDX (1,3,5-trinitro-1,3,5-triazine) Decomposition and Chemisorption on Al(111) surface: First-principles molecular dynamics study"
J. Chem. Phys. 126(23), 234702(1-7), 2007 - 19.
Naoto Umezawa, Kenji Shiraishi, Kazuyoshi Torii, Mauro Boero, Toyohiro Chikyow, Heiji Watanabe, Kikuo Yamabe, Takahisa Ohno, Keisaku Yamada and Yasuo Nara,
"Role of Nitrogen Atoms in Reduction of Electron Charge Traps in Hf-based High-k Dielectrics"
IEEE Electron Device Lett. 28(5), 363-365, 2007 - 18.
Akira Uedono, Tatsuya Naito, Takashi Otsuka, Kenichi Ito, Kenji Shiraishi, Kikuo Yamabe, Seiichi Miyazaki, Heiji Watanabe, Naoto Umezawa, Toyohiro Chikyow, Toshiyuki Ohhdaira, Ryuichi Suzuki, Yasushi Akasaka, Satoshi Kamiyama, Yasuo Nara and Keisaku Yamada,
"Characterization of Metal/High-k Structures Using Monoenergetic Positron Beams"
Jpn. J. Appl. Phys. 46(5B), 3214-3218, 2007 - 17.
Rajendra Prasad, Naoto Umezawa, Dominik Domin, Romelia Salomon-Ferrer and William A. Lester, Jr.,
"Quantum Monte Carlo study of first-row atoms using transcorrelated variational Monte Carlo trial functions"
J. Chem. Phys. 126(16), 164109(1-5), 2007
- 16.
Mitsutake Oshikiri and Mauro Boero
"Water Molecule Adsorption Properties on the BiVO4 (100) Surface"
The Journal of Physical Chemistry B, 110, 9188-9194, 2006 - 15.
Yasushi Akasaka, Genji Nakamura, Kenji Shiraishi, Naoto Umezawa, Kikuo Yamabe, Osamu Ogawa, Myoungbum Lee, Toshio Amiaka, Tooru Kasuya, Heiji Watanabe, Toyohiro Chikyow, Fumio Ootsuka, Yasuo Nara and Kunio Nakamura,
"Modified Oxygen Vacancy Induced Fermi Level Pinning Model Extendable to P-Metal Pinning"
Jpn. J. Appl. Phys. 45(49), L128-L1292, 2006 - 14.
Naoto Umezawa,
"Explicit Density Functional Exchange Potential with Correct Asymptotic Behavior"
Phys. Rev. A 74(3), 032505(1-7), 2006 - 13.
A. Uedono, T. Naito, T. Otsuka, K. Shiraishi, K. Yamabe, S. Miyazaki, H. Watanabe, N. Umezawa, T. Chikyow, Y. Akasaka, S. Kamiyama, Y. Nara and K. Yamada,
"Introduction of defects into HfO2 gate dielectrics by metal-gate deposition studied using x-ray photoelectron spectroscopy and positron annihilation"
- 1.
J. Appl. Phys. 100(6), 064501(1-5), 2006
- 12.
Naoto Umezawa and Toyohiro Chikyow, "Orbital-dependent nonlocal correlation energy functional constructed from a Jastrow function: application to atoms and ions"
Phys. Rev. A 73(6), 062116(1-8), 2006 - 11.
Naoto Umezawa and Toyohiro Chikyow, "Role of the One-body Jastrow Factor in the Transcorrelated Self-consistent-field Equation"
Int. J. Quantum Chem. 106(7), 1477-1486, 2006 - 10.
Hiroyoshi Momida, Tomoyuki Hamada, Takenori Yamamoto, Tsuyoshi Uda, Naoto Umezawa, Toyohiro Chikyow, Kenji Shiraishi and Takahisa Ohno,
"Effect of nitrogen atom doping on dielectric constants of Hf-based gate oxides"
Appl. Phys. Lett. 88(11), 112903(1-3), 2006 - 9.
A. Uedono, K. Ikeuchi, T. Otsuka, K. Shiraishi, K. Yamabe, S. Miyazaki, N. Umezawa, A. Hamid, T. Chikyow, T. Ohdaira, M. Muramatsu, R. Suzuki, S. Inumiya, S. Kamiyama, Y. Akasaka, and Y. Nara and K. Yamada.
"Characterization of HfSiON gate dielectrics using monoenergetic positron beams"
J. Appl. Phys. 99(5), 054507(1-6), 2006 - 8.
Naoro Umezawa, Antonio Sarsa, Claude Le Sesh and Toyohiro Chikyow,
"Determination of simple correlated wave function for few-electron systems using a Jastrow factor"
Phys. Rev. A 73(1), 012512(1-5), 2006
- 7.
Heiji Watanabe, Satoshi Kamiyama, Naoto Umezawa, Kenji Shiraishi,
Shiniti Yoshida, Yasumasa Watanabe, Tsunetoshi Arikado, Toyohiro Chikyow, Keisaku Yamada and Kiyoshi Yasutake,
"Role of nitrogen incorporation into Hf-based high-k gate dielectrics for termination of local current leakage paths"
Jpn. J. Appl. Phys. 44(43), L1333-L1336, 2005 - 6.
Naoto Umezawa, Shinji Tsuneyuki, Takahisa Ohno, Kenji Shiraishi and Toyohiro Chikyow,
"A practical treatment for the three-body interactions in the transcorrelated variational Monte Carlo Method: application to atoms from lithium to neon"
J. Chem. Phys. 122(22), 224101(1-9), 2005 - 5.
Naoto Umezawa, Kenji Shiraishi, Takahisa Ohno, Heiji Watanabe, Toyohiro Chikyow, Kazuyoshi Torii, Kikuo Yamabe, Keisaku Yamada, Hiroshi Kitajima and Tsunetoshi Arikado,
"First-Principles Studies of the Intrinsic Effect of Nitrogen Atoms on Reduction in Gate Leakage Current through Hf-based High-k Dielectrics"
Appl. Phys. Lett. 86(14), 143507(1-3), 2005
- 4.
Naoto Umezawa and Shinji Tsuneyuki,
"Excited electronic state calculations by the transcorrelated variational Monte Carlo method: Application to a helium atom"
J. Chem. Phys. 121(15), 7070-7075, 2004 - 3.
Naoto Umezawa and Shinji Tsuneyuki,
"Ground-state correlation energy for the homogeneous electron gas calculated by the transcorrelated method"
Phys. Rev. B 69(16), 165102(1-6), 2004
- 2.
Mitsutake Oshikiri, Mauro Boero, Jinhua Ye, Ferdi Aryasetiawan and Giyuu Kido,
"The electronic structures on the thin films of InVO4 and TiO2 by first principles calculations"
Thin Solid Films, 445, 168-174, 2003 - 1.
Naoto Umezawa and Shinji Tsuneyuki.
"Transcorrelated method for electronic systems coupled with variational Monte Carlo calculation"
J. Chem. Phys. 119(19), 10015-10031, 2003