Related papers: Efficient wavefunction propagation by minimizing a…
In this study, a variety of methods are tested and compared for the numerical solution of the Schr\"odinger equation for few-body systems with explicitely time-dependent Hamiltonians, with the aim to find the optimal one. The configuration…
The paper studies a finite element method for computing transport and diffusion along evolving surfaces. The method does not require a parametrization of a surface or an extension of a PDE from a surface into a bulk outer domain. The…
Over short time intervals planetary ephemerides have been traditionally represented in analytical form as finite sums of periodic terms or sums of Poisson terms that are periodic terms with polynomial amplitudes. Nevertheless, this…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Niklasson, Phys. Rev. Lett. 100 123004 (2008)] has been generalized to the propagation of the electronic wavefunctions. The technique allows highly efficient first principles…
In this paper we present and analyze a constraint energy minimizing generalized multiscale finite element method for convection diffusion equation. To define the multiscale basis functions, we first build an auxiliary multiscale space by…
Quantum computing has attracted considerable attention in recent years because it promises speed-ups that conventional supercomputers cannot offer, at least for some applications. Though existing quantum computers are, in most cases, still…
We present methods that can provide an exponential savings in the resources required to perform dynamic parameter estimation using quantum systems. The key idea is to merge classical compressive sensing techniques with quantum control…
This paper proposes a new method, in the frequency domain, to define absorbing boundary conditions for general two-dimensional problems. The main feature of the method is that it can obtain boundary conditions from the discretized equations…
Maxwell's equations are cast in the form of the Schr\"{o}dinger equation. The Lanczos propagation method is used in combination with the fast Fourier pseudospectral method to solve the initial value problem. As a result, a time-domain,…
A powerful method for calculating the eigenvalues of a Hamiltonian operator consists of converting the energy eigenvalue equation into a matrix equation by means of an appropriate basis set of functions. The convergence of the method can be…
Matched layers are commonly used in numerical simulations of wave propagation to model (semi-)infinite domains. Attenuation functions describe the damping in layers, and provide a matching of the wave impedance at the interface between the…
We consider the inverse problem for the wave equation on a compact Riemannian manifold or on a bounded domain of $\R^n$, and generalize the concept of {\em domain of influence}. We present an efficient minimization algorithm to compute the…
We formulate a general method for the study of semiclassical-like dynamics in stable regions of a mixed phase-space, in order to theoretically study the dynamics of quantum accelerator modes. In the simplest case, this involves determining…
We propose a new sampling-based approach for approximate inference in filtering problems. Instead of approximating conditional distributions with a finite set of states, as done in particle filters, our approach approximates the…
We describe radiative processes in Quantum Cosmology, from the solutions of the Wheeler De Witt equation. By virtue of this constraint equation, the quantum propagation of gravity is modified by the matter interaction hamiltonian at the…
Geminal wavefunctions, introduced in the late 1950s, have long been recognized for their ability to compactly capture strong electron correlation. Despite their promise, they were historically overshadowed by more computationally efficient…
We present, for the first time, an action principle that gives the equations of motion of an extended body possessing multipole moments in an external gravitational field, in the weak field limit. From the action, the experimentally…
We show that the use of wavelet bases for solving the momentum-space scattering integral equation leads to sparse matrices which can simplify the solution. Wavelet bases are applied to calculate the K-matrix for nucleon-nucleon scattering…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…
The scattering of electromagnetic pulses is described using a non-singular boundary integral method to solve directly for the field components in the frequency domain, and Fourier transform is then used to obtain the complete space-time…