Related papers: Stochastic Representation of Time-Evolving Neural …
One route to numerically propagating quantum systems is time dependent density functional theory (TDDFT). The application of TDDFT to a particular system's time evolution is predicated on V-representability which we have analyzed in a…
The 2D Euler equations are a simple but rich set of non-linear PDEs that describe the evolution of an ideal inviscid fluid, for which one dimension is negligible. Solving numerically these equations can be extremely demanding. Several…
Recent advances in attosecond science have made it increasingly important to develop stable, reliable and accurate algorithms and methods to model the time evolution of atoms and molecules in intense laser fields. A key process in…
Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an {\em ab-initio} treatment of even the…
The nonlinear Schr\"odinger equation (NLSE) is a fundamental model for wave dynamics in nonlinear media ranging from optical fibers to Bose-Einstein condensates. Accurately estimating its parameters, which are often strongly correlated,…
Methods of quantum nuclear wave-function dynamics have become very efficient in simulating large isolated systems using the time-dependent variational principle (TDVP). However, a straightforward extension of the TDVP to the density matrix…
The time-convolutionless master equation provides a general framework to model non-Markovian dynamics of an open quantum system with a time-local generator. A diagrammatic representation is developed and proven for the perturbative…
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…
Simulating fluid dynamics on a quantum computer is intrinsically difficult due to the nonlinear and non-Hamiltonian nature of the Navier-Stokes equation (NSE). We propose a framework for quantum computing of fluid dynamics based on the…
A time-dependent formulation for electron-hole excitations in extended finite systems, based on the Bethe-Salpeter equation (BSE), is developed using a stochastic wave function approach. The time-dependent formulation builds on the…
Describing the ground states of continuous, real-space quantum many-body systems, like atoms and molecules, is a significant computational challenge with applications throughout the physical sciences. Recent progress was made by variational…
We use the "tridiagonal representation approach" to solve the time-independent Schr\"odinger equation for bound states in a basis set of finite size. We obtain two classes of solutions written as finite series of square integrable functions…
An embedding method for solving the time-dependent Schr\"odinger equation is developed using the Dirac-Frenkel variational principle. Embedding allows the time-evolution of the wavefunction to be calculated explicitly in a limited region of…
The formation of extreme localizations in nonlinear dispersive media can be explained and described within the framework of nonlinear evolution equations, such as the nonlinear Schr\"odinger equation (NLS). Within the class of exact NLS…
This study presents a numerical simulation of a quantum electron confined in a 10 nm potential well, using the Crank-Nicolson numerical technique to solve the time-dependent Schrodinger equation. The results capture the evolution of the…
In parallel with the evolution of femtosecond and attosecond laser as well as free-electron laser technology, a variety of theoretical methods have been developed to describe the behavior of atoms, molecules, clusters, and solids under the…
We discuss time dependent quantum systems on bounded domains. Our work may be viewed as a framework for several models, including linear iterations involved in time dependent density functional theory (TDDFT), the Hartree-Fock model, or…
A generalization of the stochastic wave function method is presented which allows the unravelling of arbitrary linear quantum master equations which are not necessarily in Lindblad form and, moreover, the explicit treatment of memory…
Time warping function provides a mathematical representation to measure phase variability in functional data. Recent studies have developed various approaches to estimate optimal warping between functions and provide non-Euclidean models.…
Non-Markovian stochastic Schr\"odinger equations (NMSSE) are important tools in quantum mechanics, from the theory of open systems to foundations. Yet, in general, they are but formal objects: their solution can be computed numerically only…