Subspace Of States Research Articles

Enantiomer-Specific Pumping of Chiral Molecules.

Enantiomer-specific state transfer (ESST), which involves transferring enantiomers with different handedness of a chiral molecule into different-energy internal states, is a challenging yet significant task. Previous ESST methods are based on dynamic processes and thus require the preparation of initial states and precise control of microwave operation times. We propose a novel ESST approach, called enantiomer-specific pumping (ESP), which is based on a dissipative process and thereby eliminates the need for these two technical requirements. This approach utilizes a special microwave-induced dark state that appears exclusively for the enantiomer with a specific handedness. Specifically, in ESP, the enantiomer lacking the dark state can be pumped out of the subspace of relevant internal states, while the enantiomer with the dark state maintains a finite probability within this subspace, offering high efficiency in ESST. Notably, ESP facilitates enantiodetection without the need for enantiopure samples as reference.

Structure of Multi-State Correlation in Electronic Systems.

Beyond the Hohenberg-Kohn density functional theory for the ground state, it has been established that the Hamiltonian matrix for a finite number (N) of lowest eigenstates is a matrix density functional. Its fundamental variable─the matrix density D(r)─can be represented by, or mapped to, a set of auxiliary, multiconfigurational wave functions expressed as a linear combination of no more than N2 determinant configurations. The latter defines a minimal active space (MAS), which naturally leads to the introduction of the correlation matrix functional, responsible for the electronic correlation effects outside the MAS. In this study, we report a set of rigorous conditions in the Hamiltonian matrix functional, derived by enforcing the symmetry of a Hilbert subspace, namely the subspace invariance property. We further establish a fundamental theorem on the correlation matrix functional. That is, given the correlation functional for a single state in the N-dimensional subspace, all elements of the correlation matrix functional for the entire subspace are uniquely determined. These findings reveal the intricate structure of electronic correlation within the Hilbert subspace of lowest eigenstates and suggest a promising direction for efficient simulation of excited states.

Approximate Functionals for Multistate Density Functional Theory.

Recently Lu and Gao [J. Phys. Chem. Lett. 2022, 13 (33), 7762-7769] published a new, rigorous density functional theory for excited states and proved that the projection of the kinetic and electron-repulsion operators into the subspace of the lowest electronic states are a universal functional of the matrix density D(r). This is the first attempt to find an approximation to the multistate universal functional . It is shown that (i) does not explicitly depend on the number of electronic states and (ii) is an analytic matrix functional. The Thomas-Fermi-Dirac-von Weizsäcker model and the correlation energy of the homogeneous electron gas are turned into matrix functionals guided by two principles: that each matrix functional should transform properly under basis set transformations and that the ground state functional should be recovered for a single electronic state. Lieb-Oxford-like bounds on the average kinetic and electron-repulsion energies in the subspace are given. When evaluated on the numerically exact matrix density of LiF, this simple approximation reproduces the matrix elements of the electron-repulsion operator in the basis of the exact eigenstates accurately for all bond lengths. In particular the off-diagonal elements of the effective Hamiltonian that come from the interactions of different electronic states can be calculated with the same or better accuracy than the diagonal elements. Unsurprisingly, the largest error comes from the kinetic energy functional. More exact conditions that constrain the functional form of are needed to go beyond the local density approximation.

Geometry of entanglement and separability in Hilbert subspaces of dimension up to three

We present a complete classification of the geometry of the mutually complementary sets of entangled and separable states in three-dimensional Hilbert subspaces of bipartite and multipartite quantum systems. Our analysis begins by finding the geometric structure of the pure product states in a given three-dimensional Hilbert subspace, which determines all the possible separable and entangled mixed states over the same subspace. In bipartite systems, we characterise the 14 possible qualitatively different geometric shapes for the set of separable states in any three-dimensional Hilbert subspace (5 classes which also appear in two-dimensional subspaces and were found and analysed by Boyer et al. (Phys Rev A 95:032308, 2017. https://doi.org/10.1103/PhysRevA.95.032308), and 9 novel classes which appear only in three-dimensional subspaces), describe their geometries, and provide figures illustrating them. We also generalise these results to characterise the sets of fully separable states (and hence the complementary sets of somewhat entangled states) in three-dimensional subspaces of multipartite systems. Our results show which geometrical forms quantum entanglement can and cannot take in low-dimensional subspaces.

Topological Quantum Synchronization of Fractionalized Spins.

The gapped symmetric phase of the Affleck-Kennedy-Lieb-Tasaki model exhibits fractionalized spins at the ends of an open chain. We show that breaking SU(2) symmetry and applying a global spin-lowering dissipator achieves synchronization of these fractionalized spins. Additional local dissipators ensure convergence to the ground state manifold. In order to understand which aspects of this synchronization are robust within the entire Haldane-gap phase, we reduce the biquadratic term, which eliminates the need for an external field but destabilizes synchronization. Within the ground state subspace, stability is regained using only the global lowering dissipator. These results demonstrate that fractionalized degrees of freedom can be synchronized in extended systems with a significant degree of robustness arising from topological protection. A direct consequence is that permutation symmetries are not required for the dynamics to be synchronized, representing a clear advantage of topological synchronization compared to synchronization induced by permutation symmetries.

Broken unitary picture of dynamics in quantum many-body scars

Quantum many-body scars (QMBSs) are a novel paradigm for the violation of the eigenstate thermalization hypothesis—Hamiltonians of these systems exhibit mid-spectrum eigenstates that are equidistant in energy and which possess low entanglement and evade thermalization for long times. We present a novel approach to understanding the anomalous dynamical behavior in these systems. Specifically, we postulate that QMBS Hamiltonians H can generically be partitioned into a set of terms Oa which do not commute over the entire Hilbert space, but commute to all orders within the subspace of scar states. All states in the scar subspace thus evolve according to a “broken unitary” Us(t)=∏ae−iOat, where H=∑aOa, which provides a simple interpretation of the anomalous dynamical features exhibited by quantum scars; they evolve in time according to a simpler unitary operator allowing for revivals. It is found that the observed dynamical decoupling is often a direct consequence of simple local conditions, which when satisfied lead to recurring aspects of QMBSs, including equidistant eigenvalues, many-body revivals, and sub-volume-law entanglement entropy. Two classes of scar models emerge in this picture—those with a finite set of Oa, as pertaining of, for instance, scars in the AKLT model, and those with an extensive set of such operators, such as eta pairing scar states in the Hubbard model. Besides discussing how many well-known scar models fit into the above picture, we show how the broken unitary formalism captures many known scar construction methods, known in the literature and generalizes others such as quasiparticles matrix product state (MPS) based methods, and the Shiraishi-Mori approach. Published by the American Physical Society 2024

A Stabilisation System Synthesis for Motion along a Preset Trajectory and Its Solution by Symbolic Regression

The problem of a stabilisation system synthesis for the motion of a control object along a given spatial trajectory is considered. The complexity of the problem is that the preset trajectory is defined in the state subspace and not in time. This paper describes a stabilisation system synthesis for motion along a trajectory specified in time and along a trajectory specified in the form of a manifold in a state space. In order to construct a stabilisation system, it is necessary to determine a distance between an object and the given trajectory at each moment in time. For trajectories that are not given in time, the determination of this distance can be ambiguous. An object may be exactly on a trajectory but at a different time. This paper proposes some approaches to solve the problem. One of the approaches is to transform a given trajectory in a state subspace into a trajectory given in time. A description of a universal method to perform this transformation is presented. In order to solve the synthesis problem automatically, without having to analyse the mathematical model of the control object, it is suggested that machine learning control by symbolic regression is used. In computational experiments, examples of stabilisation system syntheses for quadcopter motion along a given spatial trajectory are presented.

System identification based structural damage aggravation detection in a large masonry building

System identification is widely used to estimate the dynamic characteristics of structures using either nonparametric or parametric approaches. Parametric system identification constructs mathematical models to estimate dynamic characteristics such as natural frequency, damping ratio, and mode shapes. Also, the same approach can be used to characterize damage if periodic measurements are available. In this paper, we report damage aggravation in a large neoclassical masonry structure using system identification. We took measurements in 2019 and 2023 in the Institute of Engineering, Dean Office building, which was damaged by the 2015 Gorkha, Nepal earthquake. The building is a neoclassical three storied construction with a central courtyard and an extension along the N-S direction. Without major interventions and strengthening, the building is still in use. Using the numerical algorithms for subspace state space system identification (N4SID), vibration frequencies of the structure are identified for both measurements. Also, mode shapes are identified, and damage aggravation is detected using natural frequency and MAC parameters. The first mode frequency along the N-S direction is reduced by 44% and that along the E-W direction is reduced by 1.15%, which indicates a major damage aggravation along the N-S (Y) direction.

The discreet charm of the discrete series in dS2

We study quantum field theories placed on a two-dimensional de Sitter spacetime (dS2) with an eye on the group-theoretic organization of single and multi-particle states. We explore the distinguished role of the discrete series unitary irreducible representation (UIR) in the Hilbert space. By employing previous attempts to realize these states in free tachyonic scalar field theories, we propose how the discrete series may contribute to the Källén–Lehmann decomposition of an interacting scalar two-point function. We also study BF gauge theories with SL(N,R) gauge group in dS2 and establish a relation between the discrete series UIRs and the operator content of these theories. Although present at the level of the operators, states carrying discrete series quantum numbers are projected out of the gauge-invariant Hilbert space. This projection is reminiscent of what happens for quantum field theories coupled to semiclassical de Sitter gravity, where we must project onto the subspace of de Sitter invariant states. We discuss how to impose the diffeomorphism constraints on local field-theory operators coupled to two-dimensional gravity in de Sitter, with particular emphasis on the role of contact terms. Finally, we discuss an SYK-type model with a random two-body interaction that encodes an infinite tower of discrete series operators. We speculate on its potential microscopic connection to the SL(N,R) BF theory in the large-N limit.

Deterministic/Fragmented-Stochastic Exchange for Large-Scale Hybrid DFT Calculations.

We develop an efficient approach to evaluate range-separated exact exchange for grid- or plane-wave-based representations within the generalized Kohn-Sham-density functional theory (GKS-DFT) framework. The Coulomb kernel is fragmented in reciprocal space, and we employ a mixed deterministic-stochastic representation, retaining long-wavelength (low-k) contributions deterministically and using a sparse ("fragmented") stochastic basis for the high-k part. Coupled with a projection of the Hamiltonian onto a subspace of valence and conduction states from a prior local-DFT calculation, this method allows for the calculation of the long-range exchange of large molecular systems with hundreds and potentially thousands of coupled valence states delocalized over millions of grid points. We find that even a small number of valence and conduction states is sufficient for converging the HOMO and LUMO energies of the GKS-DFT. Excellent tuning of long-range separated hybrids (RSH) is easily obtained in the method for very large systems, as exemplified here for the chlorophyll hexamer of Photosystem II with 1320 electrons.

Big-bang is a boundary condition

There is a common expectation that the big-bang singularity must be resolved in quantum gravity but it is not clear how this can be achieved. A major obstacle here is the difficulty of interpreting wave-functions in quantum gravity. The standard quantum mechanical framework requires a notion of time evolution and a proper definition of an invariant inner product having a probability interpretation, both of which are seemingly problematic in quantum gravity. We show that these two issues can actually be solved by introducing the embedding coordinates as dynamical variables à la Isham and Kuchar. The extended theory is identical to general relativity but has a larger group of gauge symmetries. The Wheeler-DeWitt equations describe the change of the wave-function from one arbitrary spacelike slice to another, however the constraint algebra makes this evolution purely kinematical and furthermore enforces the wave-function to be constrained in the subspace of zero-energy states. An inner product can also be introduced having all the necessary requirements. In this formalism big-bang appears as a finite field space boundary on which certain boundary conditions must be imposed for mathematical consistency. We explicitly illustrate this point both in the full theory and in the minisuperspace approximation.

Ballistic transport for limit-periodic Schrödinger operators in one dimension

In this paper, we consider the transport properties of the class of limit-periodic continuum Schrödinger operators whose potentials are approximated exponentially quickly by a sequence of periodic functions. For such an operator H , and X_H(t) the Heisenberg evolution of the position operator, we show the limit of \frac{1}{t}X_H(t)\psi as t\to\infty exists and is nonzero for \psi\ne 0 belonging to a dense subspace of initial states which are sufficiently regular and of suitably rapid decay. This is viewed as a particularly strong form of ballistic transport, and this is the first time it has been proven in a continuum almost periodic non-periodic setting. In particular, this statement implies that for the initial states considered, the second moment grows quadratically in time.

A Spectroscopic Description of Asymmetric Isotopologues of CO2.

A polyad-conserving algebraic model applied to vibrational excitations of asymmetric isotopologues of CO2 is presented. First, the problem of vibrational excitations is studied by taking into account only the minimum subspace of states to characterize the Fermi interaction. This analysis allows an estimation of the force constants as well as the feasibility of describing the system in a local mode scheme, in terms of SU(2) operators associated with Morse ladder operators for the stretches. This description together with the algebraic U(3) for the bends establishes the dynamical group SU1(2) × U(3) × SU2(2) for a series of isotopologues. Six isotopologues are considered, namely, 16O12C18O, 16O12C17O, 16O13C18O, 16O13C17O, 17O13C18O, and 17O12C18O in their electronic ground states. For isotopologues 16O12C18O, 16O12C17O, 17O12C18O, and 16O13C18O, the vibrational description was carried out using a Hamiltonian involving 14 parameters. For this series of isotopologues with a number of energy terms 90, 57, 42, and 40, the deviations obtained were rms = 0.15, 0.10, 0.06, and 0.07 cm-1, respectively. For 16O13C17O, with 28 experimental energies and involving 13 parameters, the deviation was rms = 0.05 cm-1, while for 17O13C18O, a different strategy was proposed since only 12 experimental energy levels. In all cases, the polyad scheme P212 = 2(ν1 + ν3) + ν2 was considered. In addition, a new criterion of locality/normality degree is proposed, embracing the case of molecules with normal mode behavior, in particular, the isotopologues of CO2.

The Accuracy and Computational Efficiency of the Loewner Framework for the System Identification of Mechanical Systems

The Loewner framework has recently been proposed for the system identification of mechanical systems, mitigating the limitations of current frequency domain fitting processes for the extraction of modal parameters. In this work, the Loewner framework computational performance, in terms of the elapsed time till identification, is assessed. This is investigated on a hybrid, numerical and experimental dataset against two well-established system identification methods (least-squares complex exponential, LSCE, and subspace state space system identification, N4SID). Good results are achieved, in terms of better accuracy than LSCE and better computational performance than N4SID.

Constrained temperature and relative humidity predictive control: Agricultural greenhouse case of study

The importance of Model Predictive Control (MPC) has significant applications in the agricultural industry, more specifically for greenhouse’s control tasks. However, the complexity of the greenhouse and its limited prior knowledge prevent an exact mathematical description of the system. Subspace methods provide a promising solution to this issue through their capacity to identify the system’s comportment using the fit between model output and observed data. In this paper, we introduce an application of Constrained Model Predictive Control (CMPC) for a greenhouse temperature and relative humidity. For this purpose, two Multi Input Single Output (MISO) systems, using Numerical Subspace State Space System Identification (N4SID) algorithm, are firstly suggested to identify the temperature and the relative humidity comportment to heating and ventilation actions. In this sense, linear state space models were adopted in order to evaluate the robustness of the control strategy. Once the system is identified, the MPC technique is applied for the temperature and the humidity regulation. Simulation results show that the regulation of the temperature and the relative humidity under constraints was guaranteed, both parameters respect the ranges 15 °C ≤ Tint ≤ 30 °C and 50 % ≤ Hint ≤ 70 % respectively. On the other hand, the control signals uf and uh applied to the fan and the heater, respect the hard constraints notion, the control signals for the fan and the heater did not exceed 0 ≤ uf ≤ 4.3 Volts and 0 ≤ uh ≤ 5 Volts, respectively, which proves the effectiveness of the MPC and the tracking tasks. Moreover, we show that with the proposed technique, using a new optimization toolbox, the computational complexity has been significantly reduced. The greenhouse in question is devoted to Schefflera Arboricola cultivation.

Decoherence-free subspace and entanglement sudden death of multi-photon polarization states in fiber channels

The construction of quantum networks requires long-distance teleportation of multi-qubit entangled states. Here, we investigate the entanglement dynamics of GHZ and W states in fiber channels. In a fiber channel, the two most important phenomena that affect polarization entanglement are polarization mode dispersion (PMD) and polarization-dependent loss (PDL). We theoretically characterize how PMD and PDL vectors affect three-qubit states. In particular, upon quantifying the entanglement at the output states using concurrence and entanglement witnesses, we reveal the occurrence of entanglement sudden death and the appearance of decoherence-free subspaces in tripartite systems. Finally, we explore the evolution of GHZ and W state with an arbitrary number of photons in a fiber network and discuss the decoherence mechanism of the 4-party cluster state.

Electric polarization and its quantization in one-dimensional non-Hermitian chains

We generalize the modern theory of electric polarization to the case of one-dimensional non-Hermitian systems with line-gapped spectrum. In these systems, the electronic position operator is non-Hermitian even when projected into the subspace of states below the energy gap. However, the associated Wilson-loop operator is biorthogonally unitary in the thermodynamic limit, thereby leading to real-valued electronic positions that allow for a clean definition of polarization. Non-Hermitian polarization can be quantized in the presence of certain symmetries, as for Hermitian insulators. Different from the latter case, though, in this regime polarization quantization depends also on the type of energy gap, which can be either real or imaginary, leading to a richer variety of topological phases. The most counter-intuitive example is the 1D non-Hermitian chain with time-reversal symmetry only, where non-Hermitian polarization is quantized in presence of an imaginary line-gap. We propose two specific models to provide numerical evidence supporting our findings.

Method for the Quantum Metric Tensor Measurement in a Continuous Variable System

As a fundamental concept, geometry is widely used in understanding physical phenomena. In quantum mechanics, geometry is related to the system’s quantum state and can be characterized by the quantum geometric tensor (QGT), whose real part is referred to as the quantum metric tensor (QMT), which defines the distance between two neighboring quantum states in the projected Hilbert space. Several pieces of research based on discrete variables have been proposed to extract the QMT, but research with the use of continuous variables is lacking. Here, we propose a method to extract the QMT of a continuous variable system, specified here as a cat-qubit. The method is developed by constructing the Kerr nonlinear parametric oscillator (KNPO) and by modulating it with external drives to induce adiabatic dynamics process within the state subspace spanned by the even and odd Scho¨dinger cat states. The method paves the way for exploring the geometry for continuous variable systems.

Structured fault information-aided canonical variate analysis model for dynamic process monitoring

Process monitoring is one of the most crucial fundamental components in industrial processes. Traditional multivariate statistical analysis modeling only relies on data collected in normal condition, reflecting the lack of sensitivity to faults. This paper proposed a fault information-aided canonical variate analysis (FICVA) and a structured FICVA (SFICVA) monitoring strategy to improve fault detection rate. In FICVA, canonical variate analysis (CVA) is firstly applied to extract state and residual subspace based on normal data. Then, according to the data collected from one fault, the above subspaces are further decomposed into fault relevant and irrelevant state subspaces, and fault relevant and irrelevant residual subspaces for guaranteeing fault information can be concentrated. The correlation between normal data in various subspaces and the ability to concentrate abnormal information in fault data from fault relevant subspaces are theoretically analyzed. Then, to combine diverse fault information from different scenarios, SFICVA monitoring strategy is performed through Bayesian inference to ensemble a series of FICVA sub-models constructed by different faults to obtain more effective performance. Through a numerical example, experimental research on Tennessee Eastman process (TEP) and actual blast furnace ironmaking process (BFIP), rationality of FICVA method and effectiveness of SFICVA monitoring strategy are fully verified.

Schrödinger from Wheeler–DeWitt: The issues of time and inner product in canonical quantum gravity

The wave-function in quantum gravity is supposed to obey the Wheeler–DeWitt (WDW) equation, however there is neither a satisfactory probability interpretation nor a successful solution to the problem of time in the WDW framework. To gain some insight on these issues we compare quantization of ordinary systems, first in the usual way having the Schrödinger equation and second by promoting them as parametrized theories by introducing embedding coordinate fields, which yields first class constraints and the WDW equation. We observe that the time evolution in the WDW framework can be described with respect to the embedding coordinates, where the WDW equation becomes Schrödinger like, i.e. it involves first order timelike functional derivatives. Moreover, the equivalence with the ordinary quantization procedure determines a suitable Hilbert space with a viable probability interpretation. We then apply the same construction to general relativity by adding embedding fields without any prior coordinate choice. The reparametrized general relativity has two different types of diffeomorphism invariance, which arises from world-volume and target-space reparametrizations. As in the case of ordinary systems, the time evolution can be described with respect to the embedding fields and the WDW equation becomes Schrödinger like; the construction is almost identical to an ordinary parametrized field theory in terms of time evolution and Hilbert space structure. However, this time, the constraint algebra enforces the wave-function to be in a subspace of states annihilated by an operator that can be identified as the Hamiltonian. The implications of these results for the canonical quantization program, and in particular for the minisuperspace quantum cosmology, are discussed.