We analyze numerically the out-of-equilibrium relaxation dynamics of a long-range Hamiltonian system of N fully coupled rotators. For a particular family of initial conditions, this system is known to enter a particular regime in which the dynamic behavior does not agree with thermodynamic predictions. Moreover, there is evidence that in the thermodynamic limit, when N--> infinity is taken prior to t--> infinity, the system will never attain true equilibrium. By analyzing the scaling properties of the two-time autocorrelation function we find that, in that regime, a very complex dynamics unfolds, in which aging phenomena appear. The scaling law strongly suggests that the system behaves in a complex way, relaxing towards equilibrium through intricate trajectories. The present results are obtained for conservative dynamics, where there is no thermal bath in contact with the system.
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Sci Rep
January 2025
Department of Mathematics, Khalifa University of Science and Technology, PO Box 127788, Abu Dhabi, UAE.
We propose a general approach to quasi-deform the Korteweg-De Vries (KdV) equation by deforming its Hamiltonian. The standard abelianization process based on the inherent sl(2) loop algebra leads to an infinite number of anomalous conservation laws, that yield conserved charges for definite space-time parity of the solution. Judicious choice of the deformed Hamiltonian yields an integrable system with scaled parameters as well as a hierarchy of deformed systems, some of which possibly are quasi-integrable.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain.
We introduce a computational methodology for evaluating and analyzing spin-vibration couplings in molecular systems, enabling insights into the interplay between electronic spins and molecular vibrations. By mapping ab initio electronic structure calculations onto molecular spin Hamiltonians, our approach captures those vibrational interactions potentially driving spin relaxation process. Spin-vibration couplings, derived from Holstein and Peierls terms, highlight the pivotal role of vibrational mode symmetry in spin decoherence and efficient energy dissipation.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Lehrstuhl für Theoretische Chemie, Universität Erlangen-Nürnberg, Egerlandstr. 3, D-91058 Erlangen, Germany.
Methods based on density-functional theory usually treat open-shell atoms and molecules within the spin-unrestricted Kohn-Sham (KS) formalism, which breaks symmetries in real and spin space. Symmetry breaking is possible because the KS Hamiltonian operator does not need to exhibit the full symmetry of the physical Hamiltonian operator, but only the symmetry of the spin density, which is generally lower. Symmetry breaking leads to spin contamination and prevents a proper classification of the KS wave function with respect to the symmetries of the physical electron system.
View Article and Find Full Text PDFHeliyon
July 2024
Department of Mathematics, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj 8100, Bangladesh.
Qualitative analysis in mathematical modeling has become an important research area within the broad domain of nonlinear sciences. In the realm of qualitative analysis, the bifurcation method is one of the significant approaches for studying the structure of orbits in nonlinear dynamical systems. To apply the bifurcation method to the (2 + 1)-dimensional double-chain Deoxyribonucleic Acid system with beta derivative, the bifurcations of phase portraits and chaotic behaviors, combined with sensitivity and multi-stability analysis of this system, are examined.
View Article and Find Full Text PDFNat Commun
January 2025
Institute for Quantum Inspired and Quantum Optimization, Hamburg University of Technology, Hamburg, Germany.
Estimation of the energy of quantum many-body systems is a paradigmatic task in various research fields. In particular, efficient energy estimation may be crucial in achieving a quantum advantage for a practically relevant problem. For instance, the measurement effort poses a critical bottleneck for variational quantum algorithms.
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