Zobrazeno 1 - 10 of 475 pro vyhledávání: '"Takeji, Takui"'
1
Akademický článek
Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functions
Autor: Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui
Publikováno v: Communications Chemistry, Vol 5, Iss 1, Pp 1-13 (2022)
Adiabatic state preparation (ASP) can generate correlated wave functions for quantum chemical calculations, but is inherently unsuitable for studying strongly correlated systems. Here, the authors perform numerical simulations of ASP for the ground s
Externí odkaz: https://doaj.org/article/526a5ccd2bcd41afbf42f9c3a945f45e
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5
Quantum Algorithm for Numerical Energy Gradient Calculations at the Full Configuration Interaction Level of Theory
Autor: Kenji Sugisaki, Hiroyuki Wakimoto, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui
Publikováno v: The Journal of Physical Chemistry Letters. 13:11105-11111
A Bayesian phase difference estimation (BPDE) algorithm allows us to compute the energy gap of two electronic states of a given Hamiltonian directly by utilizing the quantum superposition of their wave functions. Here we report an extension of the BP
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c23dcded2d47451c9702a827e745b1e
https://doi.org/10.1021/acs.jpclett.2c02737
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7
Akademický článek
The Internal Field in a Ferromagnetic Crystal with Chiral Molecular Packing of Achiral Organic Radicals
Autor: Stephen J. Blundell, Tom Lancaster, Peter J. Baker, Francis L. Pratt, Daisuke Shiomi, Kazunobu Sato, Takeji Takui
Publikováno v: Magnetochemistry, Vol 7, Iss 5, p 71 (2021)
The achiral organic radical dinitrophenyl nitronyl nitroxide crystallizes in two enantiomorphs, both being chiral tetragonal space groups that are mirror images of each other. Muon-spin rotation experiments have been performed to study the magnetic p
Externí odkaz: https://doaj.org/article/aa4cf95cb6ea43618c4e02c2265db1fd
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8
Molecular Optimization for Nuclear Spin State Control via a Single Electron Spin Qubit by Optimal Microwave Pulses : Quantum Control of Molecular Spin Qubits
Autor: Kazuo Toyota, Satoru Yamamoto, Shigeaki Nakazawa, Koji Maruyama, Kenji Sugisaki, Daisuke Shiomi, Kazunobu Sato, Elham Hosseini Lapasar, Takeji Takui, Taiki Shibata
Publikováno v: Applied Magnetic Resonance. 53(3-5):777-796
Quantum state control is one of the most important concepts in advanced quantum technology, emerging quantum cybernetics and related fields. Molecular open shell entities can be a testing ground for implementing quantum control technology enabling us
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7efe202d4053ba20f6f7c28b79193660
https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_16137507-53-3_5-777
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