相关论文: An Energy-based, always Index $\le1$ and Structura…
We apply a variational method devised for the nuclear many--body problem to the 1-dimensional Hubbard--model with nearest neighbor hopping and periodic boundary conditions. The test wave function consist for each state out of a single…
We describe a minimal model, based on a spin only Hamiltonian with a single energy scale for itinerant electron metamagnetism. Within this model the metamagnetic critical field is directly proportional to the temperature where a peak in the…
Energy-Based Models (EBMs) have proven to be a highly effective approach for modelling densities on finite-dimensional spaces. Their ability to incorporate domain-specific choices and constraints into the structure of the model through…
We prove that, contrary to the common belief, the classical Maxwell electrodynamics of a point-like particle may be formulated as an infinite-dimensional Hamiltonian system. We derive well defined quasi-Hamiltonian which possesses direct…
The symmetry-projected Hartree--Fock ansatz for the electronic structure problem can efficiently account for static correlation in molecules, yet it is often unable to describe dynamic correlation in a balanced manner. Here, we consider a…
The spectral properties of $su(2)$ Hamiltonians are studied for energies near the critical classical energy $\epsilon_c$ for which the corresponding classical dynamics presents hyperbolic points (HP). A general method leading to an…
Devices built using circuit quantum electrodynamics architectures are one of the most popular approaches currently being pursued to develop quantum information processing hardware. Although significant progress has been made over the…
In this letter, we study the energy-optimal control of nonlinear port-Hamiltonian (pH) systems in discrete time. For continuous-time pH systems, energy-optimal control problems are strictly dissipative by design. This property, stating that…
In recent years, energy correlators have emerged as powerful observables for probing the fragmentation dynamics of high-energy collisions. We introduce the first numerical strategy for calculating energy correlators using the Hamiltonian…
We study the regularization problem for port-Hamiltonian descriptor systems by proportional and/or derivative output feedback. Necessary and sufficient conditions are given, which guarantee that there exist output feedbacks such that the…
In lumped-element electrical circuit theory, the problem of solving Maxwell's equations in the presence of media is reduced to two sets of equations, the constitutive equations encapsulating local geometry and dynamics of a confined energy…
A new method is presented for performing first-principles molecular-dynamics simulations of systems with variable occupancies. We adopt a matrix representation for the one-particle statistical operator Gamma, to introduce a ``projected''…
Stability and stabilization of linear port-Hamiltonian systems on infinite-dimensional spaces are investigated. This class is general enough to include models of beams and waves as well as transport and Schr\"odinger equations with boundary…
Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…
Many integral equation-based methods are available for problems of time-harmonic electromagnetic scattering from perfect electric conductors. Among the many challenges that arise in such calculations are the avoidance of spurious…
We calculate the one-electron spectral function of the attractive (negative-$U$) Hubbard model. We work in the intermediate coupling and low density regime and obtain the self-energy in an approximate analytical form. The excitation…
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good agreement is attained between the 3 systematically converged…
We call \emph{Alphabet model} a generalization to N types of particles of the classic ABC model. We have particles of different types stochastically evolving on a one dimensional lattice with an exchange dynamics. The rates of exchange are…
Correlated many-body problems ubiquitously appear in various fields of physics such as condensed matter physics, nuclear physics, and statistical physics. However, due to the interplay of the large number of degrees of freedom, it is…
We propose an unconditionally energy-stable, orthonormality-preserving, component-wise splitting iterative scheme for the Kohn-Sham gradient flow based model in the electronic structure calculation. We first study the scheme discretized in…