We show that there are Bell-type inequalities for noncontextual theories that are violated by any quantum state. One of these inequalities between the correlations of compatible measurements is ...particularly suitable for testing this state-independent violation in an experiment.
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The evaluation of molecular electrostatic potential (ESP) is a performance bottleneck for many computational chemical tasks like restrained ESP charge fitting or quantum mechanics/molecular mechanics ...simulations. In this paper, an efficient algorithm for the evaluation of ESP is proposed. It regroups the expression in terms of primitive Gaussian type orbitals (GTOs) with identical angular momentum types and nuclei centers. Each term is calculated using a computerized optimized code. This algorithm was integrated into the wavefunction analysis program Multiwfn and was tested on several large systems. In the cases of dopamine and remdesivir, the performance of this algorithm was comparable to or better than some popular state-of-the-art codes. For meta1-organic framework-5, where the number of GTOs and ESP points is 4840 and 259 262, respectively, our code could finish the evaluation in 1874 seconds on ordinary hardware. It also exhibits good parallelization scaling. The source code of this algorithm is freely available and can become a useful tool for computational chemists.
The computerized optimized code enables Multiwfn to carry out large scale electronstatic potential analyses for systems of considerable size.
This article reviews the fundamentals of variational transition state theory (VTST), its recent theoretical development, and some modern applications. The theoretical methods reviewed here include ...multidimensional quantum mechanical tunneling, multistructural VTST (MS-VTST), multi-path VTST (MP-VTST), both reaction-path VTST (RP-VTST) and variable reaction coordinate VTST (VRC-VTST), system-specific quantum Rice-Ramsperger-Kassel theory (SS-QRRK) for predicting pressure-dependent rate constants, and VTST in the solid phase, liquid phase, and enzymes. We also provide some perspectives regarding the general applicability of VTST.
This article reviews the fundamentals of variational transition state theory (VTST), its recent theoretical development, and some modern applications.
An improved measurement of the decay $B^0_S$ → $μ^+μ^-$ and searches for the decays $B^0$ → $μ^+μ^+$ and $B^0_S$ → $μ^+μ^-γ$ are performed at the LHCb experiment using data collected in proton-proton ...collisions at $\sqrt{s}$ = 7, 8 and 13 TeV. corresponding to integrated luminosities of 1, 2 and 6 fb-1, respectively. The $B^0_S$ → $μ^+μ^-$ branching fraction and effective lifetime are measured to be $\mathscr{B}$($B^0_S$ → $μ^+μ^-$) = (3.09$^{(+0.46+0.15)}_{(-0.43-0.11)}$) x 10-9 and $τ(B^0_s →μ^+μ^-)$ = (2.07 ± 0.29 ± 0.03) ps, respectively, where the uncertainties include both statistical and systematic contributions. No significant signal for $B^0$ → $μ^+μ^-$ and $B^0_S$ → $μ^+μ^-γ$ decays is found and the upper limits $\mathscr{B}$($B^0$ → $μ^+μ^-$) < 2.6 x 10-10 and $B^0_S$ → $μ^+μ^-γ$ < 2.0 x 10-9 at 95% confidence level are determined, where the latter is limited to the range $m_{μμ}$ > 4.9 GeV/c2. Additionally, the ratio between the $B^0$ → $μ^+μ^-$ and $B^0_S$ → $μ^+μ^-$ branching fractions is measured to be $\mathscr{R}_{μ+μ-}$ < 0.095 at 95% confidence level. The results are in agreement with the Standard Model predictions.
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We study symmetry breaking at the Dicke quantum phase transition by coupling a motional degree of freedom of a Bose-Einstein condensate to the field of an optical cavity. Using an optical heterodyne ...detection scheme, we observe symmetry breaking in real time and distinguish the two superradiant phases. We explore the process of symmetry breaking in the presence of a small symmetry-breaking field and study its dependence on the rate at which the critical point is crossed. Coherent switching between the two ordered phases is demonstrated.
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Quantum theory provides an extremely accurate description of fundamental processes in physics. It thus seems likely that the theory is applicable beyond the, mostly microscopic, domain in which it ...has been tested experimentally. Here, we propose a Gedankenexperiment to investigate the question whether quantum theory can, in principle, have universal validity. The idea is that, if the answer was yes, it must be possible to employ quantum theory to model complex systems that include agents who are themselves using quantum theory. Analysing the experiment under this presumption, we find that one agent, upon observing a particular measurement outcome, must conclude that another agent has predicted the opposite outcome with certainty. The agents' conclusions, although all derived within quantum theory, are thus inconsistent. This indicates that quantum theory cannot be extrapolated to complex systems, at least not in a straightforward manner.
Electrical switching of an antiferromagnet Wadley, P.; Howells, B.; Železný, J. ...
Science (American Association for the Advancement of Science),
02/2016, Volume:
351, Issue:
6273
Journal Article
Peer reviewed
Open access
Antiferromagnets are hard to control by external magnetic fields because of the alternating directions of magnetic moments on individual atoms and the resulting zero net magnetization. However, ...relativistic quantum mechanics allows for generating current-induced internal fields whose sign alternates with the periodicity of the antiferromagnetic lattice. Using these fields, which couple strongly to the antiferromagnetic order, we demonstrate room-temperature electrical switching between stable configurations in antiferromagnetic CuMnAs thin-film devices by applied current with magnitudes of order 10⁶ ampere per square centimeter. Electrical writing is combined in our solid-state memory with electrical readout and the stored magnetic state is insensitive to and produces no external magnetic field perturbations, which illustrates the unique merits of antiferromagnets for spintronics.
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Spiral spin liquids are correlated paramagnetic states with degenerate propagation vectors forming a continuous ring or surface in reciprocal space. On the honeycomb lattice, spiral spin liquids ...present a novel route to realize emergent fracton excitations, quantum spin liquids, and topological spin textures, yet experimental realizations remain elusive. Here, using neutron scattering, we show that a spiral spin liquid is realized in the van der Waals honeycomb magnet FeCl3. A continuous ring of scattering is directly observed, which indicates the emergence of an approximate U(1) symmetry in momentum space. Our work demonstrates that spiral spin liquids can be achieved in two-dimensional systems and provides a promising platform to study the fracton physics in spiral spin liquids.
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Continuous-variable (CV) photonic states are of increasing interest in quantum information science, bolstered by features such as deterministic resource state generation and error correction via ...bosonic codes. Data-efficient characterization methods will prove critical in the fine-tuning and maturation of such CV quantum technology. Although Bayesian inference offers appealing properties-including uncertainty quantification and optimality in mean-squared error-Bayesian methods have yet to be demonstrated for the tomography of arbitrary CV states. Here we introduce a complete Bayesian quantum state tomography workflow capable of inferring generic CV states measured by homodyne or heterodyne detection, with no assumption of Gaussianity. As examples, we demonstrate our approach on experimental coherent, thermal, and cat state data, obtaining excellent agreement between our Bayesian estimates and theoretical predictions. Our approach lays the groundwork for Bayesian estimation of highly complex CV quantum states in emerging quantum photonic platforms, such as quantum communications networks and sensors.
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