Notes

Corrigendum: Hepatic Steatosis Forecasts Increased Incidence regarding Recurrence within Colorectal Cancer Liver organ Metastasis People.
The previously proposed Ansatz for density cumulant theory that combines orbital-optimization and a parameterization of the 2-electron reduced density matrix cumulant in terms of unitary coupled cluster amplitudes (OUDCT) is carefully examined. Cerivastatin sodium molecular weight Formally, we elucidate the relationship between OUDCT and orbital-optimized unitary coupled cluster theory and show the existence of near-zero denominators in the stationarity conditions for both the exact and some approximate OUDCT methods. We implement methods of the OUDCT Ansatz restricted to double excitations for numerical study, up to the fifth commutator in the Baker-Campbell-Hausdorff expansion. We find that methods derived from the Ansatz beyond the previously known ODC-12 method tend to be less accurate for equilibrium properties and less reliable when attempting to describe H2 dissociation. New developments are needed to formulate more accurate density cumulant theory variants.High-resolution anion photoelectron spectroscopy of the ZrO3H2- and ZrO3D2- anions and complementary electronic structure calculations are used to investigate the reaction between zirconium dioxide and a single water molecule, ZrO20/- + H2O. Experimental spectra of ZrO3H2- and ZrO3D2- were obtained using slow photoelectron velocity-map imaging of cryogenically cooled anions, revealing the presence of two dissociative adduct conformers and yielding insight into the vibronic structure of the corresponding neutral species. Franck-Condon simulations for both the cis- and trans-dihydroxide structures are required to fully reproduce the experimental spectrum. Additionally, it was found that water-splitting is stabilized more by ZrO2 than TiO2, suggesting Zr-based catalysts are more reactive toward hydrolysis.We show how an existing concurrent multi-scale method named hybrid particle field-molecular dynamics (hPF-MD) can be adapted to enable the simulation of structure and/or structural dynamics in compressible systems. Implementing such new equations of state (EOS) into hPF-MD, while conserving the efficiency associated with treating intermolecular interactions in a continuum fashion, opens this method up to describe a new class of phenomena in which non-uniform densities play a role, for example, evaporation and crystallization. We carefully consider how compressible hPF-MD compares to its mean-field counterpart for two particular EOS, adopted from the Cell Model for polymers and the Carnahan-Starling expression for hard spheres. Here, we performed a very basic analysis for a single-component system, focusing on the significance of various particle-based parameters and the particle-to-field projection. Our results illustrate the key role of the particle density per field grid cell and show that projection based on a Gaussian kernel is preferred over the standard cloud-in-cell projection. They also suggest that the behavior of hPF-MD close to the critical point is non-classical, i.e., in agreement with a critical exponent for a pure particle description, despite the mean-field origin of the method.Time-dependent configuration interaction with a complex absorbing potential has been used to simulate strong field ionization by intense laser fields. link2 Because spin-orbit coupling changes the energies of the ground and excited states, it can affect the strong field ionization rate for molecules containing heavy atoms. Configuration interaction with single excitations (CIS) has been employed for strong field ionization of closed shell systems. Single and double excitation configuration interaction with ionization (CISD-IP) has been used to treat ionization of degenerate states of cations on an equal footing. The CISD-IP wavefunction consists of ionizing single (one hole) and double (two hole/one particle) excitations from the neutral atom. Spin-orbit coupling has been implemented using an effective one electron spin-orbit coupling operator. The effective nuclear charge in the spin-orbit coupling operator has been optimized for Ar+, Kr+, Xe+, HX+ (X = Cl, Br, and I). link3 Spin-orbit effects on angular dependence of the strong field ionization have been studied for HX and HX+. The effects of spin-orbit coupling are largest for ionization from the π orbitals of HX+. In a static field, oscillations are seen between the 2Π3/2 and 2Π1/2 states of HX+. For ionization of HX+ by a two cycle circularly polarized pulse, a single peak is seen when the maximum in the carrier envelope is perpendicular to the molecular axis and two peaks are seen when it is parallel to the axis. This is the result of the greater ionization rate for the π orbitals than for the σ orbitals.We develop a theoretical framework for a class of pulse sequences in the nuclear magnetic resonance (NMR) of rotating solids, which are applicable to nuclear spins with anisotropic interactions substantially larger than the spinning frequency, under conditions where the radiofrequency amplitude is smaller than or comparable to the spinning frequency. The treatment is based on average Hamiltonian theory and allows us to derive pulse sequences with well-defined relationships between the pulse parameters and spinning frequency for exciting specific coherences without the need for any detailed calculations. This framework is applied to the excitation of double-quantum spectra of 14N and is used both to evaluate the existing low-power pulse schemes and to predict the new ones, which we present here. It is shown that these sequences can be designed to be γ-encoded and therefore allow the acquisition of sideband-free spectra. It is also shown how these new double-quantum excitation sequences are incorporated into heteronuclear correlation NMR, such as 1H-14N dipolar double-quantum heteronuclear multiple-quantum correlation spectroscopy. The new experiments are evaluated both with numerical simulations and experiments on glycine and N-acetylvaline, which represent cases with "moderate" and "large" quadrupolar interactions, respectively. The analyzed pulse sequences perform well for the case of a "moderate" quadrupolar interaction, however poorly with a "large" quadrupolar interaction, for which future work on pulse sequence development is necessary.In this paper, the dynamics of the paradigmatic Rössler system is investigated in a yet unexplored region of its three-dimensional parameter space. We prove a necessary condition in this space for which the Rössler system can be chaotic. By using standard numerical tools, like bifurcation diagrams, Poincaré sections, and first-return maps, we highlight both asymptotically stable limit cycles and chaotic attractors. Lyapunov exponents are used to verify the chaotic behavior while random numerical procedures and various plane cross sections of the basins of attraction of the coexisting attractors prove that both limit cycles and chaotic attractors are hidden. We thus obtain previously unknown examples of bistability in the Rössler system, where a point attractor coexists with either a hidden limit cycle attractor or a hidden chaotic attractor.In this paper, a first-order generalized memristor and a polynomial memristor are designed to construct a dual memristive Wien-bridge chaotic system. The proposed system possesses rich dynamic characteristics, including alternating between the periodic state and the chaotic state, variable amplitude and frequency, coexisting attractors, and a locally sustained chaotic state. The dynamic behaviors are obtained and investigated by using Lyapunov exponents, bifurcation diagrams, phase portraits, time-domain waveforms, frequency spectra, and so on. The presented chaotic system is implemented by using a digital signal processing platform. Finally, the National Institute of Standards and Technology test is conducted in this paper. Since the system has rich dynamic behaviors, it has great potential value in encryption engineering fields.We investigate the dynamics of regular fractal-like networks of hierarchically coupled van der Pol oscillators. The hierarchy is imposed in terms of the coupling strengths or link weights. We study the low frequency modes, as well as frequency and phase synchronization, in the network by a process of repeated coarse-graining of oscillator units. At any given stage of this process, we sum over the signals from the oscillator units of a clique to obtain a new oscillating unit. The frequencies and the phases for the coarse-grained oscillators are found to progressively synchronize with the number of coarse-graining steps. Furthermore, the characteristic frequency is found to decrease and finally stabilize to a value that can be tuned via the parameters of the system. We compare our numerical results with those of an approximate analytic solution and find good qualitative agreement. Our study on this idealized model shows how oscillations with a precise frequency can be obtained in systems with heterogeneous couplings. It also demonstrates the effect of imposing a hierarchy in terms of link weights instead of one that is solely topological, where the connectivity between oscillators would be the determining factor, as is usually the case.The detection of an underlying chaotic behavior in experimental recordings is a longstanding issue in the field of nonlinear time series analysis. Conventional approaches require the assessment of a suitable dimension and lag pair to embed a given input sequence and, thereupon, the estimation of dynamical invariants to characterize the underlying source. In this work, we propose an alternative approach to the problem of identifying chaos, which is built upon an improved method for optimal embedding. The core of the new approach is the analysis of an input sequence on a lattice of embedding pairs whose results provide, if any, evidence of a finite-dimensional, chaotic source generating the sequence and, if such evidence is present, yield a set of equivalently suitable embedding pairs to embed the sequence. The application of this approach to two experimental case studies, namely, an electronic circuit and magnetoencephalographic recordings of the human brain, highlights how it can make up a powerful tool to detect chaos in complex systems.In the present study, two types of consensus algorithms, including the leaderless coherence and the leader-follower coherence quantified by the Laplacian spectrum, are applied to noisy windmill graphs. Based on the graph construction, exact solutions are obtained for the leader-follower coherence with freely assigned leaders. In order to compare consensus dynamics of two nonisomorphic graphs with the same number of nodes and edges, two generalized windmill graphs are selected as the network models and then explicit expressions of the network coherence are obtained. Then, coherences of models are compared. The obtained results reveal distinct coherence behaviors originating from intrinsic structures of models. Finally, the robustness of the coherence is analyzed. Accordingly, it is found that graph parameters and the number of leaders have a profound impact on the studied consensus algorithms.We investigate the spectral fluctuations and electronic transport properties of chaotic mesoscopic cavities using Kwant, an open source Python programming language based package. Discretized chaotic billiard systems are used to model these mesoscopic cavities. For the spectral fluctuations, we study the ratio of consecutive eigenvalue spacings, and for the transport properties, we focus on Landauer conductance and shot noise power. We generate an ensemble of scattering matrices in Kwant, with desired number of open channels in the leads attached to the cavity. The results obtained from Kwant simulations, performed without or with magnetic field, are compared with the corresponding random matrix theory predictions for orthogonally and unitarily invariant ensembles. These two cases apply to the scenarios of preserved and broken time-reversal symmetry, respectively. In addition, we explore the orthogonal to unitary crossover statistics by varying the magnetic field and examine its relationship with the random matrix transition parameter.
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