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We study effects of electron-electron interactions on the steady-state characteristics of a hexagonal molecular ring in a magnetic field, as a model for a benzene molecular junction. The system is driven out of equilibrium by applying a…

Strongly Correlated Electrons · Physics 2014-05-07 Martin Nuss , Wolfgang von der Linden , Enrico Arrigoni

Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. We report the results of the calculations of the rate of laser-induced…

Atomic Physics · Physics 2018-03-21 Vladimir I. Korobov , Petar Danev , Dimitar Bakalov , Stephan Schiller

We present a quantum mechanical theory of optically induced dynamic nuclear polarization applicable to quantum dots and other interacting spin systems. The exact steady state of the optically driven coupled electron-nuclear system is…

Mesoscale and Nanoscale Physics · Physics 2019-02-04 Thomas Nutz , Edwin Barnes , Sophia E. Economou

Organo-metallic molecular structures where a single metallic atom is embedded in the organic backbone are ideal systems to study the effect of strong correlations on their electronic structure. In this work we calculate the electronic and…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Rubén Ferradás , Víctor M. García-Suárez , Jaime Ferrer

Dynamics of entanglement is investigated on the basis of exactly solvable models of multiple-quantum (MQ) NMR spin dynamics. It is shown that the time evolution of MQ coherences of systems of coupled nuclear spins in solids is directly…

Quantum Physics · Physics 2009-11-10 S. I. Doronin

We study theoretically the formation of the nuclear-spin polaron state in semiconductor nanosystems within the Lindblad equation approach. To this end, we derive a general Lindblad equation for the density operator that complies with the…

Mesoscale and Nanoscale Physics · Physics 2022-06-01 Iris Kleinjohann , Andreas Fischer , Mikhail M. Glazov , Frithjof B. Anders

The relative stability of the singlet, triplet, and quintet spin states of Iron(II) porphyrin (FeP) represents a challenging problem for electronic structure methods. While it is currently accepted that the ground state is a triplet,…

Chemical Physics · Physics 2023-01-05 Juan Felipe Huan Lew-Yee , Jorge M. del Campo , Mario Piris

We investigate the behavior of the holographic entanglement entropy (HEE) in proximity to the quantum critical points (QCPs) of the metal-insulator transition (MIT) in the Einstein-Maxwell-dilaton-axions (EMDA) model. Since both the…

High Energy Physics - Theory · Physics 2023-11-22 Huajie Gong , Guoyang Fu , Peng Liu , Chongye Chen , Xiao-Mei Kuang , Jian-Pin Wu

Density functional theory (DFT) calculations have been performed for the high-spin (HS) and low-spin (LS) isomers of a series of iron(II) spin crossover complexes with nitrogen ligands. The calculated charge densities have been analyzed in…

Chemical Physics · Physics 2012-06-12 Hauke Paulsen , Juliusz Adam Wolny , Alfred Xaver Trautwein

Methods for, and limitations to, the generation of entangled states of trapped atomic ions are examined. As much as possible, state manipulations are described in terms of quantum logic operations since the conditional dynamics implicit in…

Quantum Physics · Physics 2007-05-23 D. J. Wineland , C. Monroe , W. M. Itano , D. Leibfried , B. E. King , D. M. Meekhof

We show how entangled qubits can be encoded as entangled coherent states of two-dimensional centre-of-mass vibrational motion for two ions in an ion trap. The entangled qubit state is equivalent to the canonical Bell state, and we introduce…

Quantum Physics · Physics 2009-10-31 W. J. Munro , G. J. Milburn , B. C. Sanders

The time-dependent transport through single-molecule magnets coupled to magnetic or non-magnetic electrodes is studied in the framework of the generalized master equation method. We investigate the transient regime induced by the periodic…

Mesoscale and Nanoscale Physics · Physics 2015-09-02 V. Moldoveanu , I. V. Dinu , B. Tanatar , C. P. Moca

Entangled state, as an essential tool in quantum information processing, may be generated through the interaction between light and matter in cavity quantum electrodynamics. In this paper, we study the interaction between two two-level…

Quantum Physics · Physics 2015-08-20 H. R. Baghshahi , M. K. Tavassoly , M. J. Faghihi

The importance of torsion vibration in the transmission of life information is indicated. The localization of quantum torsion state is proved. Following these analyses a formalism on the quantum theory of conformation-electron system is…

Biomolecules · Quantitative Biology 2009-06-16 Liaofu Luo

We present general guidelines for finding solid-state systems that could serve as coherent electron spin-photon interfaces even at relatively high temperatures, where phonons are abundant but cooling is easier, and show that transition…

Quantum Physics · Physics 2023-09-04 E. Poem , S. Gupta , I. Morris , K. Klink , L. Singh , T. Zhong , J. N. Becker , O. Firstenberg

Spin crossover molecules have recently emerged as a family of compounds potentially useful for implementing molecular spintronics devices. The calculations of the electronic properties of such molecules is a formidable theoretical challenge…

Materials Science · Physics 2015-06-04 Andrea Droghetti , Dario Alfe' , Stefano Sanvito

We discuss the creation of many-particle entanglement in an ion trap where all ions are simultaneously coupled to bichromatic laser fields. It is shown that in a time-averaged, coarse-grained picture the system can be mapped onto a spin…

Quantum Physics · Physics 2013-05-29 R. G. Unanyan , M. Fleischhauer

We study the nature of spin excitations of individual transition metal atoms (Ti, V, Cr, Mn, Fe, Co and Ni) deposited on a Cu$_2$N/Cu(100) surface using both spin-polarized density functional theory (DFT) and exact diagonalization of an…

Mesoscale and Nanoscale Physics · Physics 2016-08-08 Alejandro Ferrón , Jose Luis Lado , Joaquín Fernández-Rossier

The discovery of FeO$_{2}$ containing more oxygen than hematite (Fe$_{2}$O$_{3}$) that was previously believed to be the most oxygen rich iron compounds, has important implications on the study of the deep lower mantle compositions.…

Strongly Correlated Electrons · Physics 2019-07-24 Bo Gyu Jang , Jin Liu , Qingyang Hu , Kristjan Haule , Ho-Kwang Mao , Wendy. L. Mao , Duck Young Kim , Ji Hoon Shim

We theoretically study the nuclear spin dynamics driven by electron transport and hyperfine interaction in an electrically-defined double quantum dot (DQD) in the Pauli-blockade regime. We derive a master-equation-based framework and show…

Mesoscale and Nanoscale Physics · Physics 2014-06-03 Martin J. A. Schuetz , Eric M. Kessler , Lieven M. K. Vandersypen , J. Ignacio Cirac , Geza Giedke
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