1k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- The Graduate University for Advanced Studies, SOKENDAIJP143 papers
- National Institutes of Natural SciencesJP76 papers
- The University of TokyoJP75 papers
- The University of OsakaJP59 papers
- Kyoto UniversityJP52 papers
- Tohoku UniversityJP46 papers
- Japan Science and Technology AgencyJP32 papers
- Nagoya UniversityJP30 papers
- Hiroshima UniversityJP27 papers
- High Energy Accelerator Research OrganizationJP26 papers
- RIKENJP26 papers
- Tokyo Institute of TechnologyJP26 papers
16 papers · 1 filter
Orbital Optimization in the Density Matrix Renormalization Group, with applications to polyenes and β-carotene
Debashree Ghosh, Johannes Hachmann, Takeshi Yanai +1
In previous work we have shown that the Density Matrix Renormalization Group (DMRG) enables near-exact calculations in active spaces much larger than are possible with traditional…
Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations
Song-Ho Chong, Martin Aichele, Hendrik Meyer +2
We report on quantitative comparisons between simulation results of a bead-spring model and mode-coupling theory calculations for the structural and conformational dynamics of a su…
An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry
Garnet Kin-Lic Chan, Jonathan J. Dorando, Debashree Ghosh +4
The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has en…
Suppression of rectification at metal-Mott-insulator interfaces
Kenji Yonemitsu, Nobuya Maeshima, Tatsuo Hasegawa
Charge transport through metal-Mott-insulator interfaces is studied and compared with that through metal-band-insulator interfaces. For band insulators, rectification has been know…
Mechanism of Ambipolar Field-Effect Transistors on One-Dimensional Organic Mott Insulators
Kenji Yonemitsu
The experimentally observed, ambipolar field-effect characteristics of Mott insulators are reproduced in the one-dimensional Hubbard model attached to a tight-binding model for sou…
Se NMR evidence for the Jaccarino-Peter mechanism in the field induced superconductor, (BETS)FeCl}
K. Hiraki, H. Mayaffre, M. Horvatic +7
We have performed Se NMR on a single crystal sample of the field induced superconductor -(BETS)FeCl. Our results obtained in the paramagnetic state provide a…
Charge Ordering in alpha-(BEDT-TTF)2I3 by synchrotron x-ray diffraction
Toru Kakiuchi, Yusuke Wakabayashi, Hiroshi Sawa +2
The spatial charge arrangement of a typical quasi-two-dimensional organic conductor alpha-(BEDT-TTF)2I3 is revealed by single crystal structure analysis using synchrotron radiation…
Optical Properties of Pentacene and Perfluoropentacene Thin Films
Alexander Hinderhofer, Ute Heinemeyer, Alexander Gerlach +5
The optical properties of pentacene (PEN) and perfluoropentacene(PFP) thin films on various SiO2 substrates were studied using variable angle spectroscopic ellipsometry. Structural…
Photoinduced melting of charge order in a quarter-filled electron system coupled with different types of phonons
Kenji Yonemitsu, Nobuya Maeshima
Photoinduced melting of charge order is calculated by using the exact many-electron wave function coupled with classically treated phonons in the one-dimensional quarter-filled Hub…
NMR Evidence for Antiferromagnetic Transition in the Single-Component Molecular Conductor, [Au(tmdt)_{2}] at 110 K
Y. Hara, K. Miyagawa, K. Kanoda +3
We present the results of a ^{1}H NMR study of the single-component molecular conductor, [Au(tmdt)_{2}]. A steep increase in the NMR line width and a peak formation of the nuclear…
Se NMR measurements of the exchange field in the organic conductor (BETS)FeCl
Guoqing Wu, W. G. Clark, S. E. Brown +3
Se-NMR spectrum and frequency shift measurements in the paramagnetic metal (PM) and antiferromagnetic insulating (AFI) phases are reported for a small single crystal of the…
Effects of Electron-Lattice Coupling on Charge Order in θ-(ET)2X
Yasuhiro Tanaka, Kenji Yonemitsu
Charge ordering accompanied by lattice distortion in quasi-two dimensional organic conductors θ-(ET)2X (ET=BEDT-TTF) is studied by using an extended Hubbard model with Peierls-type…
Charge-Transfer Excitations in One-Dimensional Dimerized Mott Insulators
Nobuya Maeshima, Kenji Yonemitsu
We investigate the optical properties of one-dimensional (1D) dimerized Mott insulators using the 1D dimerized extended Hubbard model. Numerical calculations and a perturbative ana…
Charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4: Cooperative effects of electron correlations and lattice distortions
Satoshi Miyashita, Kenji Yonemitsu
Combined effects of electron correlations and lattice distortions are investigated on the charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4 theoretically in a two-dimensional 3/4-filled e…
Low-Energy Electrodynamics of Heavy Quasiparticles in ZrZn2
Shin-ichi Kimura, Noriaki Kimura, Haruyoshi Aoki
The temperature dependence of the optical conductivity spectrum of an itinerant ferromagnetic material, ZrZn, was obtained and the dynamical effective mass and the scattering r…
Infrared study on the electronic structure of alkaline-earth-filled skutterudites AT4Sb12 (A = Sr, Ba; M = Fe, Ru, Os)
Shin-ichi Kimura, Hojun Im, Takafumi Mizuno +3
The optical conductivity [] spectra of alkaline-earth-filled skutterudites with the chemical formula Sb ( = Sr, Ba, = Fe, Ru, Os) and a reference m…