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Hamiltonian mechanics is an effective tool to represent many physical processes with concise yet well-generalized mathematical expressions. A well-modeled Hamiltonian makes it easy for researchers to analyze and forecast many related…
Assuming time-scale separation, a simple and unified theory of thermodynamics and stochastic thermodynamics is constructed for small classical systems strongly interacting with its environment in a controllable fashion. The total…
We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians, $\mathcal{H}(t)$. A major hurdle in the utilization of the…
Hamiltonian systems with functionally dependent constraints (irregular systems), for which the standard Dirac procedure is not directly applicable, are discussed. They are classified according to their behavior in the vicinity of the…
We investigate an approach for studying the ground state of a quantum many-body Hamiltonian that is based on treating the correlation functions as variational parameters. In this approach, the challenge set by the exponentially-large…
Local Hamiltonians, $H_k$, describe non-trivial $k$-body interactions in quantum many-body systems. Here, we address the dynamical simulatability of a $k$-local Hamiltonian by a simpler one, $H_{k'}$, with $k'<k$, under the realistic…
We address the nonadiabatic quantum dynamics of macrosystems with several coupled electronic states, taking into account the possibility of multi-state conical intersections. The general situation of an arbitrary number of states and…
We revisit a classical perturbative approach to the Hamiltonian related to the motions of Trojan bodies, in the framework of the Planar Circular Restricted Three-Body Problem (PCRTBP), by introducing a number of key new ideas in the…
The capacity to custom tailor the properties of quantum matter and materials is a central requirement for enlarging their range of possible functionalities. A particularly promising route is the use of driving protocols to engineer specific…
Effective Hamiltonians are usually constructed by using canonical transformations or projection techniques. In contrast to this, we present a method for systems with arbitrary Hilbert space based on the introduction of cumulants. Cumulants…
We develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series of the electron density. As we demonstrate for three small molecules, the resulting Hamiltonians can be used for electron density…
We establish some general dynamical properties of lattice many-body systems that are subject to a high-frequency periodic driving. We prove that such systems have a quasi-conserved extensive quantity $H_*$, which plays the role of an…
Stochastic contact Hamiltonian systems are a class of important mathematical models, which can describe the dissipative properties with odd dimensions in the stochastic environment. In this article, we investigate the numerical dynamics of…
We derive the dynamics of several rigid bodies of arbitrary shape in a 2-dimensional inviscid and incompressible fluid, whose vorticity field is given by point vortices. We adopt the idea of Vankerschaver et al. (2009) to derive the…
Multi-configurational electronic structure theory delivers the most versatile approximations to many-electron wavefunctions, flexible enough to deal with all sorts of transformations, ranging from electronic excitations, to open-shell…
Multipartite quantum states saturating the Heisenberg limit of sensitivity typically require full-body correlators to be prepared. On the other hand, experimentally practical Hamiltonians often involve few-body correlators only. Here, we…
Modified Hamiltonians are used in the field of geometric numerical integration to show that symplectic schemes for Hamiltonian systems are accurate over long times. For nonlinear systems the series defining the modified Hamiltonian usually…
For a linear non-Hermitian system, I demonstrate that a Hamiltonian can be constructed such that the non-Hermitian equations can be expressed exactly in the form of Hamilton's canonical equations. This is first shown for discrete systems…
Explicit symplectic integrators have been important tools for accurate and efficient approximations of mechanical systems with separable Hamiltonians. For the first time, the article proposes for arbitrary Hamiltonians similar integrators,…
Predicting the behaviors of Hamiltonian systems has been drawing increasing attention in scientific machine learning. However, the vast majority of the literature was focused on predicting separable Hamiltonian systems with their kinematic…