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The formulation of the time-dependent Schrodinger equation in terms of coupled-cluster theory is outlined, with emphasis on the bivariational framework and its classical Hamiltonian structure. An indefinite inner product is introduced,…
We present a practical algorithm to approximate the exponential of skew-Hermitian matrices up to round-off error based on an efficient computation of Chebyshev polynomials of matrices and the corresponding error analysis. It is based on…
We present a family of algorithms for the numerical approximation of the Schr\"odinger equation with potential concentrated at a finite set of points. Our methods belong to the so-called fast and oblivious convolution quadrature algorithms.…
New families of time-dependent potentials related to the parametric oscillator are introduced. This is achieved by introducing some general time-dependent operators that factorize the appropriate constant of motion (quantum invariant) of…
The purpose of the present paper is to discuss the time dependent Schr\"odinger equation on a metric graph with time-dependent edge lengths, and the proper way to pose the problem so that the corresponding time evolution is unitary. We show…
In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical…
We prove an error estimate for a Lie-Trotter splitting operator associated to the Schrodinger-Poisson equation in the semiclassical regime, when the WKB approximation is valid. In finite time, and so long as the solution to a compressible…
Numerical solutions for laser-matter interaction in Schr\"odinger equation has many applications in theoretical chemistry, quantum physics and condensed matter physics. In this paper we introduce a methodology which allows, with a small…
We present an ab initio approach to solve the time-dependent Schr\"odinger equation to treat electron and photon impact multiple ionization of atoms or molecules. It combines the already known time scaled coordinate method with a new high…
We develop a spacetime neural network method with second order optimization for solving quantum dynamics from the high dimensional Schr\"{o}dinger equation. In contrast to the standard iterative first order optimization and the…
The Schrodinger equation is one of the most important equations in physics and chemistry and can be solved in the simplest cases by computer numerical methods. Since the beginning of the 70s of the last century the computer began to be used…
We study solutions to the Cauchy problem for the linear and nonlinear Schroedinger equation with a quadratic Hamiltonian depending on time. For the linear case the evolution operator can be expressed as an integral operator with the…
We present an algorithm for the solution of a simultaneous space-time discretization of linear parabolic evolution equations with a symmetric differential operator in space. Building on earlier work, we recast this discretization into a…
The explicit split-operator algorithm is often used for solving the linear and nonlinear time-dependent Schr\"{o}dinger equations. However, when applied to certain nonlinear time-dependent Schr\"{o}dinger equations, this algorithm loses…
In this paper, we give a detailed account of the algorithm outlined in [1] for Feynman integral reduction and $\varepsilon$-factorised differential equations. The algorithm consists of two steps. In the first step, we use a new geometric…
A sequential quadratic programming method is designed for solving general smooth nonlinear stochastic optimization problems subject to expectation equality constraints. We consider the setting where the objective and constraint function…
A detailed exposition of highly efficient and accurate method for the propagation of the time-dependent Schr\"odinger equation is presented. The method is readily generalized to solve an arbitrary set of ODE's. The propagation is based on a…
In this work we propose an approach for implementing time-evolution of a quantum system using product formulas. The quantum algorithms we develop have provably better scaling (in terms of gate complexity and circuit depth) than a naive…
The discontinuous Galerkin time-stepping method has many advantageous properties for solving parabolic equations. However, it requires the solution of a large nonsymmetric system at each time-step. This work develops a fully robust and…
In this paper, we begin the exploration of vertex-ordering problems through the lens of exponential-time approximation algorithms. In particular, we ask the following question: Can we simultaneously beat the running times of the fastest…