Related papers: Efficient wavefunction propagation by minimizing a…
Representing fermionic wavefunctions efficiently is a central problem in quantum physics, chemistry and materials science. In this work, we introduce a universal and exact representation of continuous antisymmetric functions by lifting them…
Classical optimization is a cornerstone of the success of variational quantum algorithms, which often require determining the derivatives of the cost function relative to variational parameters. The computation of the cost function and its…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
We present a numerical method to simulate the time evolution, according to a Hamiltonian made of local interactions, of quantum spin chains and systems alike. The efficiency of the scheme depends on the amount of the entanglement involved…
In the present work, we have analyzed the motion of a structured matter wave in the presence of a constant magnetic field and under the influence of a time-dependent external force. We have introduced exact propagator kernels obtained from…
In this work, the phase function method (PFM) is employed for the first time to explicitly construct scattering wavefunctions for the $\alpha\alpha$ system using a single-term Morse potential. Unlike earlier PFM-based studies that primarily…
Elastic full-waveform inversion (EFWI) is a process used to estimate subsurface properties by fitting seismic data while satisfying wave propagation physics. The problem is formulated as a least-squares data fitting minimization problem…
The manipulation of matterwave represents a milestone in the history of quantum mechanics. It was at the basis of its experimental validation through the observation of diffraction of matter on crystals, as well as grating and Young's…
This paper describes how to propagate wavefields for arbitrary numbers of traditional time steps in a single step, called a superstep. We show how to construct operators that accomplish this task for finite-difference time domain schemes,…
In the Projector Augmented Wave (PAW) method, a local potential, basis functions, and projector functions form an All-Electron (AE) basis for valence wave functions in the application of Density Functional Theory (DFT). The construction of…
Using the very basic physics principles, we have studied the implications of quantum corrections to classical electrodynamics and the propagation of electromagnetic waves and pulses. The initial nonlinear wave equation for the…
Gamow's approach to exponential decay of meta-stable particles via complex 'eigenvalues' (resonances) of a Hamiltonian is scrutinized. We explain the sense in which the non-square-integrable 'eigenfunctions' that belong to these resonances…
We take some first steps in providing a synthetic theory of distributions. In particular, we are interested in the use of distribution theory as foundation, not just as tool, in the study of the wave equation.
Numerical transfer matrices have been widely used in the study of wave propagation and scattering. These may be viewed as descretizations of a recently introduced fundamental notion of transfer matrix which admits a representation in terms…
We present equations of motion (EOMs) for general time-dependent wave functions with exponentially parametrized biorthogonal basis sets. The equations are fully bivariational in the sense of the time-dependent bivariational principle…
In this study, utilizing a specific exponential weighting function, we investigate the uniform exponential convergence of weighted Birkhoff averages along decaying waves and delve into several related variants. A key distinction from…
In the present work, a new time-dependent exchange theory is presented wherein the symmetry constraints, on a multi-electron wavefunction, are properly accounted for. In so doing, the equations of motion, incorporating the required…
In the present manuscript, we consider the practical problem of wave interaction with a vertical wall. However, the novelty here consists in the fact that the wall can move horizontally due to a system of springs. The water wave evolution…
Constraints in power consumption and computational power limit the skill of operational numerical weather prediction by classical computing methods. Quantum computing could potentially address both of these challenges. Herein, we present…
An efficient algorithm to simulate dynamics of open quantum system is presented. The method describes the dynamics by unraveling stochastic wave functions converging to a density operator description. The stochastic techniques are based on…