Related papers: Discrete Variable Representation method in the stu…
The advantage of using a Discrete Variable Representation (DVR) is that the Hamiltonian of two interacting particles can be constructed in a very simple form. However the DVR Hamiltonian is approximate and, as a consequence, the results…
We present a fault-tolerant quantum algorithm for implementing the Discrete Variable Representation (DVR) transformation, a technique widely used in simulations of quantum-mechanical Hamiltonians. DVR provides a diagonal representation of…
The discrete variable representation (DVR) basis is nearly optimal for numerically representing wave functions in nuclear physics: Suitable problems enjoy exponential convergence, yet the Hamiltonian remains sparse. We show that one can…
While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…
We discuss the application of the Discrete Variable Representation to Schr\"odinger problems which involve singular Hamiltonians. Unlike recent authors who invoke transformations to rid the eigenvalue equation of singularities at the cost…
We have been calculated the ground state charge densities and energies of noble gas atoms through a single time dependent quantum fluid Schr$\ddot{o}$dinger equation. By using imaginary - time, the Schr$\ddot{o}$dinger equation has been…
Given the prevalence of superconducting platforms for uses in quantum computing and quantum sensing, the simulation of quantum superconducting circuits has become increasingly important for identifying system characteristics and modeling…
The correlation discrete variable representation (CDVR) enables efficient quantum dynamics calculation with the multi-layer multi-configurational time-dependent Hartree (MCTDH) approach on general potential energy surfaces. It employs a…
In this contribution, we discuss the finite-element discrete variable representation (FE-DVR) of the nonequilibrium Green's function and its implications on the description of strongly inhomogeneous quantum systems. In detail, we show that…
The Schr\"odinger equation is solved numerically for charmonium using the discrete variable representation (DVR) method. The Hamiltonian matrix is constructed and diagonalized to obtain the eigenvalues and eigenfunctions. Using these…
We present an efficient and accurate grid method for solving the time-dependent Schr\"{o}dinger equation of atomic systems interacting with intense laser pulses. As usual, the angular part of the wave function is expanded in terms of…
Discrete gradient methods are a powerful tool for the time discretization of dynamical systems, since they are structure-preserving regardless of the form of the total energy. In this work, we discuss the application of discrete gradient…
The aim of this paper is the derivation of structure preserving schemes for the solution of the EPDiff equation, with particular emphasis on the two dimensional case. We develop three different schemes based on the Discrete Variational…
We study energy-conserving Hamiltonian Boundary Value Methods (HBVMs) for Hamiltonian systems, which arise in applications where long-term preservation of energy and symplecticity is essential. HBVMs are multi-stage schemes whose stage…
We analyze the properties of particles trapped in three-dimensional potentials formed from superimposed Gaussian beams, fully taking into account effects of potential anharmonicity and non-separability. Although these effects are negligible…
We have developed an efficient approach for treating low-dimensional few-body processes in confined geometry of atomic and hybrid atom-ion traps. It based on the split-operator method in 2D discrete-variable representation (DVR) suggested…
We propose and apply the finite-element discrete variable representation to express the nonequilibrium Green's function for strongly inhomogeneous quantum systems. This method is highly favorable against a general basis approach with regard…
We construct numerical basis function sets on a lattice, whose spatial extension is scalable from single lattice sites to the continuum limit. They allow us to compute small and large bound states with comparable, moderate effort. Adopting…
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…
In this paper we discuss energy conservation issues related to the numerical solution of the nonlinear wave equation. As is well known, this problem can be cast as a Hamiltonian system that may be autonomous or not, depending on the…