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9 pages, 240 KB  
Article
Second-Order Pseudo-Hermitian Spin-1/2 Bosons
by Armando de la C. Rangel-Pantoja, I. Díaz-Saldaña and Carlos A. Vaquera-Araujo
Universe 2025, 11(12), 400; https://doi.org/10.3390/universe11120400 - 5 Dec 2025
Viewed by 364
Abstract
The canonical quantization of a field theory for spin-1/2 massive bosons that satisfy the Klein–Gordon equation is presented. The breakdown of the usual spin–statistics connection is due to the redefinition of the dual field, rendering the theory pseudo-Hermitian. The normal-ordered Hamiltonian is bounded [...] Read more.
The canonical quantization of a field theory for spin-1/2 massive bosons that satisfy the Klein–Gordon equation is presented. The breakdown of the usual spin–statistics connection is due to the redefinition of the dual field, rendering the theory pseudo-Hermitian. The normal-ordered Hamiltonian is bounded from below with real eigenvalues, and the theory is consistent with microcausality and invariant under parity, charge conjugation and time reversal. Full article
(This article belongs to the Section Field Theory)
20 pages, 376 KB  
Article
A New Space-Time Theory Unravels the Origins of Classical Mechanics for the Dirac Equation
by Wei Wen
Quantum Rep. 2025, 7(4), 59; https://doi.org/10.3390/quantum7040059 - 3 Dec 2025
Viewed by 605
Abstract
The Feynman path integral plays a central role in quantum mechanics, linking classical action to propagators and relating quantum electrodynamics (QED) to Feynman diagrams. However, the path-integral formulations used in non-relativistic quantum mechanics and in QED are neither unified nor directly connected. This [...] Read more.
The Feynman path integral plays a central role in quantum mechanics, linking classical action to propagators and relating quantum electrodynamics (QED) to Feynman diagrams. However, the path-integral formulations used in non-relativistic quantum mechanics and in QED are neither unified nor directly connected. This suggests the existence of a missing path integral that bridges relativistic action and the Dirac equation at the single-particle level. In this work, we analyze the consistency and completeness of existing path-integral theories and identify a spinor path integral that fills this gap. Starting from a relativistic action written in spinor form, we construct a spacetime path integral whose kernel reproduces the Dirac Hamiltonian. The resulting formulation provides a direct link between the relativistic classical action and the Dirac equation, and it naturally extends the scalar relativistic path integral developed in our earlier work. Beyond establishing this structural connection, the spinor path integral offers a new way to interpret the origin of classical mechanics for the Dirac equation and suggests a spacetime mechanism for spin and quantum nonlocal correlations. These features indicate that the spinor path integral can serve as a unifying framework for existing path-integral approaches and as a starting point for further investigations into the spacetime structure of quantum mechanics. Full article
11 pages, 710 KB  
Communication
Computing the Graph-Changing Dynamics of Loop Quantum Gravity
by Thiago L. M. Guedes, Guillermo A. Mena Marugán, Francesca Vidotto and Markus Müller
Universe 2025, 11(12), 387; https://doi.org/10.3390/universe11120387 - 24 Nov 2025
Viewed by 494
Abstract
In loop quantum gravity (LQG), states of the gravitational field are represented by labeled graphs called spin networks. Their dynamics can be described by a Hamiltonian constraint, which acts on the spin network states, modifying both spins and graphs. Fixed-graph approximations of the [...] Read more.
In loop quantum gravity (LQG), states of the gravitational field are represented by labeled graphs called spin networks. Their dynamics can be described by a Hamiltonian constraint, which acts on the spin network states, modifying both spins and graphs. Fixed-graph approximations of the dynamics have been extensively studied, but its full graph-changing action so far remains elusive. The latter, alongside the solutions of its constraint, are arguably the missing features in canonical LQG to access phenomenology in all its richness. Here, we discuss a recently developed numerical tool that, for the first time, implements graph-changing dynamics via the Hamiltonian constraint. We explain how it is used to find new solutions to that constraint and to show that some quantum geometric observables behave differently than in the graph-preserving truncation. We also point out that these new numerical methods can find applications in other domains. Full article
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19 pages, 930 KB  
Review
de Gennes–Suzuki–Kubo Quantum Ising Mean-Field Dynamics: Applications to Quantum Hysteresis, Heat Engines, and Annealing
by Soumyaditya Das, Soumyajyoti Biswas, Muktish Acharyya and Bikas K. Chakrabarti
Condens. Matter 2025, 10(4), 58; https://doi.org/10.3390/condmat10040058 - 20 Nov 2025
Viewed by 698
Abstract
We briefly review the early development of the mean-field dynamics for cooperatively interacting quantum many-body systems, mapped to pseudo-spin (Ising-like) systems. We start with (Anderson, 1958) pseudo-spin mapping the BCS (1957) Hamiltonian of superconductivity, reducing it to a mean-field Hamiltonian of the XY [...] Read more.
We briefly review the early development of the mean-field dynamics for cooperatively interacting quantum many-body systems, mapped to pseudo-spin (Ising-like) systems. We start with (Anderson, 1958) pseudo-spin mapping the BCS (1957) Hamiltonian of superconductivity, reducing it to a mean-field Hamiltonian of the XY (or effectively Ising) model in a transverse field. Then, we obtain the mean-field estimate for the equilibrium gap in the ground-state energy at different temperatures (gap disappearing at the transition temperature), which fits Landau’s (1949) phenomenological theory of superfluidity. We then present in detail a general dynamical extension (for non-equilibrium cases) of the mean-field theory of quantum Ising systems (in a transverse field), following de Gennes’ (1963) decomposition of the mean field into the orthogonal classical cooperative (longitudinal) component and the quantum (transverse) component, with each of the component following Suzuki–Kubo (1968) mean-field dynamics. Next, we discuss its applications to quantum hysteresis in Ising magnets (in the presence of an oscillating transverse field), to quantum heat engines (employing the transverse Ising model as a working fluid), and to the quantum annealing of the Sherrington–Kirkpatrick (1975) spin glass by tuning down (to zero) the transverse field, which provides us with a very fast computational algorithm, leading to ground-state energy values converging to the best-known analytic estimate for the model. Finally, we summarize the main results obtained and draw conclusions about the effectiveness of the de Gennes–Suzuki–Kubo mean-field equations for the study of various dynamical aspects of quantum condensed matter systems. Full article
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10 pages, 875 KB  
Article
Hidden Momentum and the Absence of the Gravitational Spin Hall Effect in a Uniform Field
by Andrzej Czarnecki and Ting Gao
Universe 2025, 11(11), 365; https://doi.org/10.3390/universe11110365 - 6 Nov 2025
Viewed by 362
Abstract
We re-examine the recent claim that a Dirac particle freely falling in a uniform gravitational field exhibits a spin-dependent transverse deflection (gravitational spin Hall effect). Using a circulating mass model, we show that hidden momentum arises in uniform fields when an object carries [...] Read more.
We re-examine the recent claim that a Dirac particle freely falling in a uniform gravitational field exhibits a spin-dependent transverse deflection (gravitational spin Hall effect). Using a circulating mass model, we show that hidden momentum arises in uniform fields when an object carries angular momentum. On the quantum side, we analyze the Dirac Hamiltonian in a uniform potential, construct its Foldy–Wouthuysen form, and evaluate the Heisenberg evolution of spin-polarized Gaussian packets. The state used previously, with p=0, is not at rest: because canonical and kinetic momenta differ, the packet carries a spin-dependent hidden momentum from t=0. Imposing x(0)=v(0)=0 requires a compensating spin-dependent p(0); with this preparation x(t)=0 to leading order in the gravitational acceleration g. Generalizing, an exact Foldy–Wouthuysen transformation (linear in g but to all orders in 1/c) shows that spin-dependent transverse motion begins no earlier than at O(g2) for a broad class of wave packets. We conclude that a uniform field does not produce a gravitational spin Hall effect at linear order; the previously reported drift stems from inconsistent initial states and misinterpreting canonical momentum. Full article
(This article belongs to the Special Issue Geometric Theories of Gravity)
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26 pages, 1572 KB  
Article
Pulse-Driven Spin Paradigm for Noise-Aware Quantum Classification
by Carlos Riascos-Moreno, Andrés Marino Álvarez-Meza and German Castellanos-Dominguez
Computers 2025, 14(11), 475; https://doi.org/10.3390/computers14110475 - 1 Nov 2025
Viewed by 808
Abstract
Quantum machine learning (QML) integrates quantum computing with classical machine learning. Within this domain, QML-CQ classification tasks, where classical data is processed by quantum circuits, have attracted particular interest for their potential to exploit high-dimensional feature maps, entanglement-enabled correlations, and non-classical priors. Yet, [...] Read more.
Quantum machine learning (QML) integrates quantum computing with classical machine learning. Within this domain, QML-CQ classification tasks, where classical data is processed by quantum circuits, have attracted particular interest for their potential to exploit high-dimensional feature maps, entanglement-enabled correlations, and non-classical priors. Yet, practical realizations remain constrained by the Noisy Intermediate-Scale Quantum (NISQ) era, where limited qubit counts, gate errors, and coherence losses necessitate frugal, noise-aware strategies. The Data Re-Uploading (DRU) algorithm has emerged as a strong NISQ-compatible candidate, offering universal classification capabilities with minimal qubit requirements. While DRU has been experimentally demonstrated on ion-trap, photonic, and superconducting platforms, no implementations exist for spin-based quantum processing units (QPU-SBs), despite their scalability potential via CMOS-compatible fabrication and recent demonstrations of multi-qubit processors. Here, we present a pulse-level, noise-aware DRU framework for spin-based QPUs, designed to bridge the gap between gate-level models and realistic spin-qubit execution. Our approach includes (i) compiling DRU circuits into hardware-proximate, time-domain controls derived from the Loss–DiVincenzo Hamiltonian, (ii) explicitly incorporating coherent and incoherent noise sources through pulse perturbations and Lindblad channels, (iii) enabling systematic noise-sensitivity studies across one-, two-, and four-spin configurations via continuous-time simulation, and (iv) developing a noise-aware training pipeline that benchmarks gate-level baselines against spin-level dynamics using information-theoretic loss functions. Numerical experiments show that our simulations reproduce gate-level dynamics with fidelities near unity while providing a richer error characterization under realistic noise. Moreover, divergence-based losses significantly enhance classification accuracy and robustness compared to fidelity-based metrics. Together, these results establish the proposed framework as a practical route for advancing DRU on spin-based platforms and motivate future work on error-attentive training and spin–quantum-dot noise modeling. Full article
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12 pages, 2382 KB  
Article
Hyperfine Coupling Constants of Photoinduced Axial Symmetry NV Centers in a 6H Silicon Carbide: DFT and High-Field ENDOR Spectroscopy Study
by Yuliya Ermakova, Ekaterina Dmitrieva, Irina Gracheva, Darya Shurtakova, Margarita Sadovnikova, Fadis Murzakhanov, Georgy Mamin, Sergey Nagalyuk, Evgeny Mokhov and Marat Gafurov
Appl. Nano 2025, 6(4), 23; https://doi.org/10.3390/applnano6040023 - 31 Oct 2025
Viewed by 701
Abstract
Solid-state spin centers are at the forefront of developing advanced quantum technologies, engaging in applications of sensing, communication and computing. A semiconductor host matrix compatible with existing silicon technology provides a robust platform for holding spin defects and an opportunity for external manipulation. [...] Read more.
Solid-state spin centers are at the forefront of developing advanced quantum technologies, engaging in applications of sensing, communication and computing. A semiconductor host matrix compatible with existing silicon technology provides a robust platform for holding spin defects and an opportunity for external manipulation. In this article, negatively charged nitrogen-vacancy (NV) centers in the hexagonal hh position in a 6H polytype silicon carbide crystal was studied using high-frequency (94 GHz) electron paramagnetic (EPR) and electron nuclear double resonances (ENDOR) spectroscopy. Experimentally determined values of hyperfine and quadrupole interactions of 14N were compared with the values obtained for the centers in NVk2k1 positions. The distribution of spin density of the defect within a supercell of the SiC crystal lattice was calculated using the density functional theory approach. The theoretical estimation of electron-nuclear interaction constants turned out to be in close agreement with the experimental values, which allows us to refine the microscopic model of a point defect. The temperature dependence of the spin Hamiltonian values (δA/δT ≅ 180 Hz/K) was studied with the possibility of observing the 14N NMR signal at room temperature. The fundamental knowledge gained about interactions’ parameters’ behavior lays the foundation for the creation of promising quantum platforms. Full article
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15 pages, 6068 KB  
Article
Role of Interfacial Dzyaloshinskii–Moriya Interactions on Dipole-Exchange Spin Waves in Finite-Width Ferromagnetic Nanostripes
by Syed Hussain, Bushra Hussain and Michael Cottam
AppliedPhys 2025, 1(2), 6; https://doi.org/10.3390/appliedphys1020006 - 29 Oct 2025
Viewed by 569
Abstract
In this paper, we explore the magnetization dynamics in a long ferromagnetic nanostripe with finite width in the presence of antisymmetric Dzyaloshinskii–Moriya exchange interactions (DMIs). It is known that DMIs, which are currently of great interest because they give rise to chiral and [...] Read more.
In this paper, we explore the magnetization dynamics in a long ferromagnetic nanostripe with finite width in the presence of antisymmetric Dzyaloshinskii–Moriya exchange interactions (DMIs). It is known that DMIs, which are currently of great interest because they give rise to chiral and nonreciprocal properties and influence surface topologies, can be enhanced by interfacing the nanostripe with a heavy metal. Our theoretical approach employs a microscopic (or Hamiltonian-based) analysis that includes symmetric bilinear exchange, antisymmetric DMI, long-range dipole–dipole interactions, and Zeeman energy due to an external magnetic field applied out of the plane of the nanostripe. In this geometry, we calculate the frequencies and amplitudes of the discrete spin-wave modes that have a standing-wave character across the finite width of the stripe and a propagating character (with wavenumber k) along the stripe length. The individual spin-wave modes display nonreciprocal propagation in their dispersion relations due to DMI. We also find that there may be localized edge spin waves with amplitudes that undergo spatial decay near the stripe edges. Full article
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18 pages, 613 KB  
Article
Harnessing Quantum Entanglement and Fidelity in Hydrogen Atoms: Unveiling Dynamics Under Dephasing Noise
by Kamal Berrada and Smail Bougouffa
Appl. Sci. 2025, 15(20), 10938; https://doi.org/10.3390/app152010938 - 11 Oct 2025
Cited by 2 | Viewed by 542
Abstract
We investigate the quantum dynamics of entanglement and fidelity in the hyperfine structure of hydrogen atoms under dephasing noise, modeled via the Lindblad master equation. The effective Hamiltonian captures the spin–spin interaction between the electron and proton, with dephasing incorporated through local Lindblad [...] Read more.
We investigate the quantum dynamics of entanglement and fidelity in the hyperfine structure of hydrogen atoms under dephasing noise, modeled via the Lindblad master equation. The effective Hamiltonian captures the spin–spin interaction between the electron and proton, with dephasing incorporated through local Lindblad operators. Analytical solutions for the time-dependent density matrix are derived for various initial states, including separable, partially entangled, and maximally entangled configurations. Entanglement is quantified using the concurrence, while fidelity measures the similarity between the evolving state and the initial state. Numerical results demonstrate that entanglement exhibits oscillatory decay modulated by the dephasing rate, with anti-parallel spin states displaying greater robustness compared to parallel configurations, often leading to entanglement sudden death. Fidelity dynamics reveal similar damped oscillations, underscoring the interplay between coherent hyperfine evolution and environmental dephasing. These insights elucidate strategies for preserving quantum correlations in atomic systems, with implications for quantum information processing and metrology. Full article
(This article belongs to the Special Issue Quantum Communication and Quantum Information)
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17 pages, 828 KB  
Article
Quantum Coherence and Mixedness in Hydrogen Atoms: Probing Hyperfine Structure Dynamics Under Dephasing Constraints
by Kamal Berrada and Smail Bougouffa
Symmetry 2025, 17(10), 1633; https://doi.org/10.3390/sym17101633 - 2 Oct 2025
Cited by 2 | Viewed by 883
Abstract
We investigate the quantum dynamics of coherence in the hyperfine structure of hydrogen atoms subjected to dephasing noise, modeled using the Lindblad master equation. The effective Hamiltonian describes the spin–spin interaction between the electron and proton, with dephasing introduced via Lindblad operators. Analytical [...] Read more.
We investigate the quantum dynamics of coherence in the hyperfine structure of hydrogen atoms subjected to dephasing noise, modeled using the Lindblad master equation. The effective Hamiltonian describes the spin–spin interaction between the electron and proton, with dephasing introduced via Lindblad operators. Analytical solutions for the time-dependent density matrix are derived for various initial states, including separable, partially entangled, and maximally entangled configurations. Quantum coherence is quantified through the l1-norm measures, while purity is evaluated to assess mixedness. Results demonstrate that coherence exhibits oscillatory decay modulated by the dephasing rate, with antiparallel spin states showing greater resilience against noise compared to parallel configurations. These findings highlight the interplay between coherent hyperfine dynamics and environmental dephasing, offering insights into preserving quantum resources in atomic systems for applications in quantum information science. Full article
(This article belongs to the Special Issue Applications Based on Symmetry/Asymmetry in Quantum Mechanics)
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28 pages, 597 KB  
Review
Ab Initio Calculations of Spin Waves: A Review of Theoretical Approaches and Applications
by Michael Neugum and Arno Schindlmayr
Materials 2025, 18(18), 4431; https://doi.org/10.3390/ma18184431 - 22 Sep 2025
Viewed by 911
Abstract
Spin waves represent an important class of low-energy excitations in magnetic solids, which influence the thermodynamic properties and play a major role in technical applications, such as spintronics or magnetic data storage. Despite the enormous advances of ab initio simulations in materials science, [...] Read more.
Spin waves represent an important class of low-energy excitations in magnetic solids, which influence the thermodynamic properties and play a major role in technical applications, such as spintronics or magnetic data storage. Despite the enormous advances of ab initio simulations in materials science, quantitative calculations of spin-wave spectra still pose a significant challenge, because the collective nature of the spin dynamics requires an accurate treatment of the Coulomb interaction between the electrons. As a consequence, simple lattice models like the Heisenberg Hamiltonian are still widespread in practical investigations, but modern techniques like time-dependent density-functional theory or many-body perturbation theory also open a route to material-specific spin-wave calculations from first principles. Although both are in principle exact, actual implementations necessarily employ approximations for electronic exchange and correlation as well as additional numerical simplifications. In this review, we recapitulate the theoretical foundations of ab initio spin-wave calculations and analyze the common approximations that underlie present implementations. In addition, we survey the available results for spin-wave dispersions of various magnetic materials and compare the performance of different computational approaches. In this way, we provide an overview of the present state of the art and identify directions for further developments. Full article
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21 pages, 3968 KB  
Article
Entropy, Fidelity, and Entanglement During Digitized Adiabatic Quantum Computing to Form a Greenberger–Horne–Zeilinger (GHZ) State
by Nathan D. Jansen and Katharine L. C. Hunt
Entropy 2025, 27(9), 891; https://doi.org/10.3390/e27090891 - 23 Aug 2025
Viewed by 2216
Abstract
We analyzed the accuracy of digitized adiabatic quantum computing to form the entangled three-qubit Greenberger–Horne–Zeilinger (GHZ) state on two IBM quantum computers and four quantum simulators by comparison with direct calculations using a Python code (version 3.12). We initialized three-qubit systems in the [...] Read more.
We analyzed the accuracy of digitized adiabatic quantum computing to form the entangled three-qubit Greenberger–Horne–Zeilinger (GHZ) state on two IBM quantum computers and four quantum simulators by comparison with direct calculations using a Python code (version 3.12). We initialized three-qubit systems in the ground state of the Hamiltonian for noninteracting spins in an applied magnetic field in the x direction. We then gradually varied the Hamiltonian to an Ising model form with nearest-neighbor zz spin coupling with an eight-step discretization. The von Neumann entropy provides an indicator of the accuracy of the discretized adiabatic evolution. The von Neumann entropy of the density matrix from the Python code remains very close to zero, while the von Neumann entropy of the density matrices on the quantum computers increases almost linearly with the step number in the process. The GHZ witness operator indicates that the quantum simulators incorporate a GHZ component in part. The states on the two quantum computers acquire partial GHZ character, even though the trace of the product of the GHZ witness operator with the density matrix not only remains positive but also rises monotonically from Step 5 to Step 8. Each of the qubits becomes entangled during the adiabatic evolution in all of the calculations, as shown by the single-qubit reduced density matrices. Full article
(This article belongs to the Special Issue Quantum Probability and Randomness V)
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14 pages, 405 KB  
Article
Quantum Coherence and Purity in Dissipative Hydrogen Atoms: Insights from the Lindblad Master Equation
by Kamal Berrada and Smail Bougouffa
Entropy 2025, 27(8), 848; https://doi.org/10.3390/e27080848 - 10 Aug 2025
Cited by 5 | Viewed by 1257
Abstract
In this work, we investigate the quantum coherence and purity in hydrogen atoms under dissipative dynamics, with a focus on the hyperfine structure states arising from the electron–proton spin interaction. Using the Lindblad master equation, we model the time evolution of the density [...] Read more.
In this work, we investigate the quantum coherence and purity in hydrogen atoms under dissipative dynamics, with a focus on the hyperfine structure states arising from the electron–proton spin interaction. Using the Lindblad master equation, we model the time evolution of the density matrix of the system, incorporating both the unitary dynamics driven by the hyperfine Hamiltonian and the dissipative effects due to environmental interactions. Quantum coherence is quantified using the L1 norm and relative entropy measures, while purity is assessed via von Neumann entropy, for initial states, including a maximally entangled Bell state and a separable state. Our results reveal distinct dynamics: for the Bell states, both coherence and purity decay exponentially with a rate proportional to the dissipation parameter, whereas for a kind of separable state, coherence exhibits oscillatory behavior modulated via the hyperfine coupling constant, superimposed on an exponential decay, and accompanied by a steady increase in entropy. Higher dissipation rates accelerate the loss of coherence and the growth of von Neumann entropy, underscoring the environment’s role in suppressing quantum superposition and driving the system towards mixed states. These findings enhance our understanding of coherence and purity preservation in atomic systems and offer insights for quantum information applications where robustness against dissipation is critical. Full article
(This article belongs to the Special Issue Entropy in Classical and Quantum Information Theory with Applications)
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20 pages, 619 KB  
Article
A Complexity-Based Approach to Quantum Observable Equilibration
by Marcos G. Alpino, Tiago Debarba, Reinaldo O. Vianna and André T. Cesário
Entropy 2025, 27(8), 824; https://doi.org/10.3390/e27080824 - 3 Aug 2025
Viewed by 945
Abstract
We investigate the role of a statistical complexity measure to assign equilibration in isolated quantum systems. While unitary dynamics preserve global purity, expectation values of observables often exhibit equilibration-like behavior, raising the question of whether a measure of complexity can track this process. [...] Read more.
We investigate the role of a statistical complexity measure to assign equilibration in isolated quantum systems. While unitary dynamics preserve global purity, expectation values of observables often exhibit equilibration-like behavior, raising the question of whether a measure of complexity can track this process. In addition to examining observable equilibration, we extend our analysis to study how the complexity of the quantum states evolves, providing insight into the transition from initial coherence to equilibrium. We define a classical statistical complexity measure based on observable entropy and deviation from equilibrium, which captures the dynamical progression towards equilibration and effectively distinguishes between complex and non-complex trajectories. In particular, our measure is sensitive to non-complex dynamics. Such dynamics include the quasi-periodic behavior exhibited by low-dimensional initial states, where the system explores a limited region of Hilbert space while preserving coherence. Numerical simulations of an Ising-like non-integrable Hamiltonian spin-chain model support these findings. Our work provides new insight into the emergence of equilibrium behavior from unitary dynamics and advances complexity as a meaningful tool in the study of the emergence of classicality in microscopic systems. Full article
(This article belongs to the Special Issue Quantum Nonstationary Systems—Second Edition)
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17 pages, 18705 KB  
Article
A Cost-Effective Treatment of Spin–Orbit Couplings in the State-Averaged Driven Similarity Renormalization Group Second-Order Perturbation Theory
by Meng Wang and Chenyang Li
Molecules 2025, 30(9), 2082; https://doi.org/10.3390/molecules30092082 - 7 May 2025
Cited by 1 | Viewed by 1059
Abstract
We present an economical approach to treat spin–orbit coupling (SOC) in the state-averaged driven similarity renormalization group second-order perturbation theory (SA-DSRG-PT2). The electron correlation is first introduced by forming the SA-DSRG-PT2 dressed spin-free Hamiltonian. This Hamiltonian is then augmented with the Breit–Pauli Hamiltonian [...] Read more.
We present an economical approach to treat spin–orbit coupling (SOC) in the state-averaged driven similarity renormalization group second-order perturbation theory (SA-DSRG-PT2). The electron correlation is first introduced by forming the SA-DSRG-PT2 dressed spin-free Hamiltonian. This Hamiltonian is then augmented with the Breit–Pauli Hamiltonian and diagonalized using spin-pure reference states to obtain the SOC-corrected energy spectrum. The spin–orbit mean-field approximation is also assumed to reduce the cost associated with the two-electron spin–orbit integrals. The resulting method is termed BP1-SA-DSRG-PT2c, and it possesses the same computational scaling as the non-relativistic counterpart, where only the one- and two-body density cumulants are required to obtain the vertical transition energy. The accuracy of BP1-SA-DSRG-PT2c is assessed on a few atoms and small molecules, including main-group diatomic molecules, transition-metal atoms, and actinide dioxide cations. Numerical results suggest that BP1-SA-DSRG-PT2c performs comparably to other internally contracted multireference perturbation theories with SOC treated using the state interaction scheme. Full article
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