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In this short exposition, we describe equilibria and periodic orbits in terms of the flow map, {\Phi}, and discuss the essentials of the Jacobian-free Newton-Krylov (JFNK) method that can be used to find them. This method requires little…
We present an efficient quasi-Newton orbital solver optimized to reduce the number of gradient (Fock matrix) evaluations. The solver optimizes orthogonal orbitals by sequences of unitary rotations generated by the (preconditioned)…
This paper studies various Hopf bifurcations in the two-dimensional plane Poiseuille problem. For several values of the wavenumber $\alpha$, we obtain the branch of periodic flows which are born at the Hopf bifurcation of the laminar flow.…
We explain the setup for using the pde2path libraries for Hopf bifurcation and continuation of branches of periodic orbits and give implementation details of the associated demo directories. See [Uecker, Comm. in Comp. Phys., 2019] for a…
We present a framework that uses a continuous frequency space to describe and design solid-state NMR experiments. The approach is similar to the well established Floquet treatment for NMR, but is not restricted to periodic Hamiltonians and…
We present a Floquet scheme for the ab-initio calculation of nonlinear optical properties in extended systems. This entails a reformulation of the real-time approach based on the dynamical Berry-phase polarisation [Attaccalite & Gr\"uning,…
We study operator dynamics in many-body quantum systems, focusing on generic features of systems that are ergodic, spatially extended, and lack conserved densities. Quantum circuits of various types provide simple models for such systems.…
We investigate the dynamical characterization theory for periodically driven systems in which Floquet topology can be fully detected by emergent topological patterns of quench dynamics in momentum subspaces called band-inversion surfaces.…
We present a new method for generating robust guesses for unstable periodic orbits (UPOs) by post-processing turbulent data using dynamic mode decomposition (DMD). The approach relies on the identification of near-neutral, repeated…
The aim of this article is to present a complete system of Floquet spectral invariants for the discrete Schr\"odinger operators with periodic potentials on periodic graphs. These invariants are polynomials in the potential and determined by…
The quasi-bound modes localized on stable periodic ray orbits of dielectric micro-cavities are constructed in the short-wavelength limit using the parabolic equation method. These modes are shown to coexist with irregularly spaced "chaotic"…
Computation of the spherical harmonic rotation coefficients or elements of Wigner's d-matrix is important in a number of quantum mechanics and mathematical physics applications. Particularly, this is important for the Fast Multipole Methods…
The nuclear-electronic orbital (NEO) method is a well-established approach for treating nuclei quantum mechanically in molecular systems beyond the usual Born-Oppenheimer approximation. In this work, we present a strategy to implement the…
With light-matter interaction extending into strong regime, as well as rapid development of laser technology, systems subjecting to a time-periodic perturbation are attracted broad attention. Floquet theorem and Floquet time-independent…
Symplectic integrators are a foundation to the study of dynamical $N$-body phenomena, at scales ranging from from planetary to cosmological. These integrators preserve the Poincar\'e invariants of Hamiltonian dynamics. The $N$-body…
We consider the inverse scattering problem to reconstruct a local perturbation of a given inhomogeneous periodic layer in $\mathbb{R}^d$, $d=2,3$, using near field measurements of the scattered wave on an open set of the boundary above the…
Quasi-Newton techniques approximate the Newton step by estimating the Hessian using the so-called secant equations. Some of these methods compute the Hessian using several secant equations but produce non-symmetric updates. Other…
In this article, we propose a quasi-Newton method for unconstrained set optimization problems to find its weakly minimal solutions with respect to lower set-less ordering. The set-valued objective mapping under consideration is given by a…
The nonlinear Schroedinger equation has several families of quasi-periodic travelling waves, each of which can be parametrized up to symmetries by two real numbers: the period of the modulus of the wave profile, and the variation of its…
We describe computational tools that have been developed to simulate dynamical mass transfer in semi-detached, polytropic binaries that are initially executing synchronous rotation upon circular orbits. Initial equilibrium models are…