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14 papers · 2 filters
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…
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…