A Fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics
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comparisonFourier methodphysical and chemical molecular phenomenatime dependent Schrödinger equation
Integral representations of solutions to PDEs (35C15) Partial differential equations of mathematical physics and other areas of application (35Q99) Spectral, collocation and related methods for boundary value problems involving PDEs (65N35) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Applications to the sciences (65Z05)
Cites work
- scientific article; zbMATH DE number 3115573 (Why is no real title available?)
- scientific article; zbMATH DE number 3300503 (Why is no real title available?)
- scientific article; zbMATH DE number 3109251 (Why is no real title available?)
- A numerical and theoretical study of certain nonlinear wave phenomena
Cited in
(65)- Stability at nonconforming grid interfaces for a high order discretization of the Schrödinger equation
- Realizations of the Witt and Virasoro algebras and integrable equations
- High order stable finite difference methods for the Schrödinger equation
- Fractal analysis of size effects and surface morphology effects in catalysis and electrocatalysis
- A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: a nanotube application
- WavePacket: a Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations
- A paradox of grid-based representation techniques: accurate eigenvalues from inaccurate matrix elements
- An efficient algorithm based on splitting for the time integration of the Schrödinger equation
- EXACT NUMERICAL SOLUTION OF SCHRÖDINGER'S EQUATION FOR A PARTICLE IN AN INTERACTION POTENTIAL OF GENERAL SHAPE
- Lanczos pseudospectral method for initial-value problems in electrodynamics and its applications to ionic crystal gratings
- Determination of eigenstates via Lanczos-based forward substitution and filter- diagonalization
- Maximum norm error bound of a linearized difference scheme for a coupled nonlinear Schrödinger equations
- Calculation of energy spectrum and eigenstates of 1D time-independent short-range potentials
- Faedo-Galerkin approximate solutions of a neutral stochastic fractional differential equation with finite delay
- Parallel axis theorem for free-space electron wavefunctions
- Convergence of an eighth-order compact difference scheme for the nonlinear Schrödinger equation
- The fast Hankel transform as a tool in the solution of the time dependent Schrödinger equation
- Numerical solutions of the time-dependent Schrödinger equation in spherical coordinates by Fourier transform methods
- Accelerated convergence for Schrödinger equations with non-smooth potentials
- Convergence of compact ADI method for solving linear Schrödinger equations
- Two-grid based adaptive proper orthogonal decomposition method for time dependent partial differential equations
- A new approach for determining the time step when propagating with the Lanczos algorithm
- Multiconfiguration time-dependent self-consistent field approximations in the numerical solution of quantum dynamical problems
- Optimal choice of grid points in multidimensional pseudospectral Fourier methods
- On the unique mapping relationship between initial and final quantum states
- Numerical analysis of the adiabatic variable method for the approximation of the nuclear hamiltonian
- Almost structure-preserving analysis for weakly linear damping nonlinear Schrödinger equation with periodic perturbation
- Parallel methods for high-dimensional quantum dynamics
- Quantum wave packet approach to the Eley-Rideal reactive scattering between a gas phase atom and an adsorbate
- The Chebyshev propagator for quantum systems
- Semi-global approach for propagation of the time-dependent Schrödinger equation for time-dependent and nonlinear problems
- An application of the interpolating scaling functions to wave packet propagation
- New, highly accurate propagator for the linear and nonlinear Schrödinger equation
- Analysis of a leap-frog pseudospectral scheme for the Schrödinger equation
- Wave packet propagation by the Faber polynomial approximation in electrodynamics of passive media
- A time-dependent semiclassical wavepacket method using a fast Fourier transform (FFT) algorithm
- Inelastic molecule-corrugated surface scattering using the close-coupling wave-packet method
- The calculation of product quantum state distributions and partial cross-sections in time-dependent molecular collision and photodissociation theory
- Time-dependent solution of the Liouville-von Neumann equation: Non-dissipative evolution
- Time-dependent wavepacket algorithm for inelastic molecule-molecule scattering
- Time-dependent wavepacket methods for the calculation of collinear atom-diatom exchange reaction probabilities
- Absorbing boundaries for wave propagation problems
- Time-dependent rotated Hartree: Formal development
- An asymptotic wavefunction splitting procedure for propagating spatially extended wavefunctions: Application to intense field photodissociation of \(H^ +_ 2\)
- Pseudospectral solution of the Schrödinger equation for the Rosen-Morse and Eckart potentials
- Stability analysis of finite difference schemes for quantum mechanical equations of motion
- Time-dependent methods to study the dissociation dynamics of tri- and tetra-atomic clusters
- The Lagrange-mesh method
- \texttt{TBPLaS}: a tight-binding package for large-scale simulation
- Coupling of Gaussian beam and finite difference solvers for semiclassical Schrödinger equations
- Dynamical theory of spectroscopy with femtosecond pulse excitation. I: Dynamics of absorption and emission processes
- Dynamical theory of spectroscopy with femtosecond pulse excitation
- Solution of the time-dependent Schrödinger equation employing a basis of explicit discrete-coordinate eigenfunctions: Spherical and azimuthal symmetry, adiabaticity, and multiphoton excitation of a rotating Morse oscillator
- An augmented subspace based adaptive proper orthogonal decomposition method for time dependent partial differential equations
- An alternating direction implicit finite element Galerkin method for the linear Schrödinger equation
- SINGLE QUBIT MANIPULATION IN HETERONUCLEAR DIATOMIC MOLECULAR SYSTEM
- Pseudospectral Time-Domain (PSTD) Methods for the Wave Equation: Realizing Boundary Conditions with Discrete Sine and Cosine Transforms
- Multiple unitary-pulses for coherent-control of tunnelling and decoherence
- Nonlocal boundary value problems for hyperbolic-Schrödinger equations with multipoint nonlocal boundary condition
- Schrödinger dynamics in length-scale hierarchy: from spatial rescaling to Huygens-like proliferation of Gaussian wavepackets
- Strang splitting in combination with rank-1 and rank-\(r\) lattices for the time-dependent Schrödinger equation
- Treatment of angular derivatives in the Schrödinger equation by the finite Fourier series method
- The conservative splitting high-order compact finite difference scheme for two-dimensional Schrödinger equations
- Adapting reservoir computing to solve the Schrödinger equation
- Relativistic properties and invariants of the du fort-frankel scheme for the one-dimensional Schrödinger equation
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