WavePacket: A Matlab package for numerical quantum dynamics. II: Open quantum systems, optimal control, and model reduction

WavePacket is an open-source program package for numeric simulations in quantum dynamics. It can solve time-independent or time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows, e.g., to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semi-classical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. Being highly versatile and offering visualization of quantum dynamics 'on the fly', WavePacket is well suited for teaching or research projects in atomic, molecular and optical physics as well as in physical or theoretical chemistry. Building on the previous Part I which dealt with closed quantum systems and discrete variable representations, the present Part II focuses on the dynamics of open quantum systems, with Lindblad operators modeling dissipation and dephasing. This part also describes the WavePacket function for optimal control of quantum dynamics, building on rapid monotonically convergent iteration methods. Furthermore, two different approaches to dimension reduction implemented in WavePacket are documented here. In the first one, a balancing transformation based on the concepts of controllability and observability Gramians is used to identify states that are neither well controllable nor well observable. Those states are either truncated or averaged out. In the other approach, the H2-error for a given reduced dimensionality is minimized by H2 optimal model reduction techniques, utilizing a bilinear iterative rational Krylov algorithm

Solving rank structured Sylvester and Lyapunov equations

We consider the problem of efficiently solving Sylvester and Lyapunov equations of medium and large scale, in case of rank-structured data, i.e., when the coefficient matrices and the right-hand side have low-rank off-diagonal blocks. This comprises problems with banded data, recently studied by Haber and Verhaegen in "Sparse solution of the Lyapunov equation for large-scale interconnected systems", Automatica, 2016, and by Palitta and Simoncini in "Numerical methods for large-scale Lyapunov equations with symmetric banded data", SISC, 2018, which often arise in the discretization of elliptic PDEs. We show that, under suitable assumptions, the quasiseparable structure is guaranteed to be numerically present in the solution, and explicit novel estimates of the numerical rank of the off-diagonal blocks are provided. Efficient solution schemes that rely on the technology of hierarchical matrices are described, and several numerical experiments confirm the applicability and efficiency of the approaches. We develop a MATLAB toolbox that allows easy replication of the experiments and a ready-to-use interface for the solvers. The performances of the different approaches are compared, and we show that the new methods described are efficient on several classes of relevant problems

Existence and Uniqueness of Perturbation Solutions to DSGE Models

We prove that standard regularity and saddle stability assumptions for linear approximations are sufficient to guarantee the existence of a unique solution for all undetermined coefficients of nonlinear perturbations of arbitrary order to discrete time DSGE models. We derive the perturbation using a matrix calculus that preserves linear algebraic structures to arbitrary orders of derivatives, enabling the direct application of theorems from matrix analysis to prove our main result. As a consequence, we provide insight into several invertibility assumptions from linear solution methods, prove that the local solution is independent of terms first order in the perturbation parameter, and relax the assumptions needed for the local existence theorem of perturbation solutions.Perturbation, matrix calculus, DSGE, solution methods, Bézout theorem; Sylvester equations

Toward Solution of Matrix Equation X=Af(X)B+C

This paper studies the solvability, existence of unique solution, closed-form solution and numerical solution of matrix equation $X=Af(X) B+C$ with $f(X) =X^{\mathrm{T}},$ $f(X) =\bar{X}$ and $f(X) =X^{\mathrm{H}},$ where $X$ is the unknown. It is proven that the solvability of these equations is equivalent to the solvability of some auxiliary standard Stein equations in the form of $W=\mathcal{A}W\mathcal{B}+\mathcal{C}$ where the dimensions of the coefficient matrices $\mathcal{A},\mathcal{B}$ and $\mathcal{C}$ are the same as those of the original equation. Closed-form solutions of equation $X=Af(X) B+C$ can then be obtained by utilizing standard results on the standard Stein equation. On the other hand, some generalized Stein iterations and accelerated Stein iterations are proposed to obtain numerical solutions of equation equation $X=Af(X) B+C$. Necessary and sufficient conditions are established to guarantee the convergence of the iterations

Hypersymmetry: a Z_3-graded generalization of supersymmetry

We propose a generalization of non-commutative geometry and gauge theories based on ternary Z_3-graded structures. In the new algebraic structures we define, we leave all products of two entities free, imposing relations on ternary products only. These relations reflect the action of the Z_3-group, which may be either trivial, i.e. abc=bca=cab, generalizing the usual commutativity, or non-trivial, i.e. abc=jbca, with j=e^{(2\pi i)/3}. The usual Z_2-graded structures such as Grassmann, Lie and Clifford algebras are generalized to the Z_3-graded case. Certain suggestions concerning the eventual use of these new structures in physics of elementary particles are exposed

The solution of the equation AX+BX*=0

We give a complete solution of the matrix equation AX+BX=0, where A, B ∈ C^mxn are two given matrices, X ∈ C^mxn is an unknown matrix, and denotes the transpose or the conjugate transpose. We provide a closed formula for the dimension of the solution space of the equation in terms of the Kronecker canonical form of the matrix pencil A+B, and we also provide an expression for the solution X in terms of this canonical form, together with two invertible matrices leading A+B to the canonical form by strict equivalence.This work was partially supported by the Ministerio de Ciencia e Innovación of Spain through grant MTM-2009-09281Publicad