The optimal $L^4$-Strichartz estimate for the Schrödinger equation on the two-dimensional rational torus $\mathbb {T}^2$ is proved, which improves an estimate of Bourgain. A new method based on incidence geometry is used. The approach yields a stronger $L^4$ bound on a logarithmic time scale, which implies global existence of solutions to the cubic (mass-critical) nonlinear Schrödinger equation in $H^s(\mathbb {T}^2)$ for any $s>0$ and data that are small in the critical norm.

In this paper, we study global-in-time, weighted Strichartz estimates for the Dirac equation on warped product spaces in dimension $n\geq 3$ . In particular, we prove estimates for the dynamics restricted to eigenspaces of the Dirac operator on the compact spin manifolds defining the ambient manifold under some explicit sufficient condition on the metric and estimates with loss of angular derivatives for general initial data in the setting of spherically symmetric and asymptotically flat manifolds.

Von Neumann’s original proof of the ergodic theorem is revisited. A uniform convergence rate is established under the assumption that one can control the density of the spectrum of the underlying self-adjoint operator when restricted to suitable subspaces. Explicit rates are obtained when the bound is polynomial, with applications to the linear Schrödinger and wave equations. In particular, decay estimates for time averages of solutions are shown.

The linear Schrödinger equation with piecewise constant potential in one spatial dimension is a well-studied textbook problem. It is one of only a few solvable models in quantum mechanics and shares many qualitative features with physically important models. In examples such as ‘particle in a box’ and tunnelling, attention is restricted to the time-independent Schrödinger equation. This paper combines the unified transform method and recent insights for interface problems to present fully explicit solutions for the time-dependent problem.

A Lagrangian surface hopping algorithm is implemented to study the two dimensional massless Dirac equation for Graphene with an electrostatic potential, in the semiclassical regime. In this problem, the crossing of the energy levels of the system at Dirac points requires a particular treatment in the algorithm in order to describe the quantum transition—characterized by the Landau-Zener probability— between different energy levels. We first derive the Landau-Zener probability for the underlying problem, then incorporate it into the surface hopping algorithm. We also show that different asymptotic models for this problem derived in [O. Morandi, F. Schurrer, J. Phys. A:Math. Theor. 44 (2011) 265301]may give different transition probabilities. We conduct numerical experiments to compare the solutions to the Dirac equation, the surface hopping algorithm, and the asymptotic models of [O. Morandi, F. Schurrer, J. Phys. A: Math. Theor. 44 (2011) 265301].

The nonlinear Dirac equation is an important model in quantum physics with a set of conservation laws and a multi-symplectic formulation. In this paper, we propose energy-preserving and multi-symplectic wavelet algorithms for this model. Meanwhile, we evidently improve the efficiency of these algorithms in computations via splitting technique and explicit strategy. Numerical experiments are conducted during long-term simulations to show the excellent performances of the proposed algorithms and verify our theoretical analysis.

We propose efficient and accurate numerical methods for computing the ground state and dynamics of the dipolar Bose-Einstein condensates utilising a newly developed dipole-dipole interaction (DDI) solver that is implemented with the non-uniform fast Fourier transform (NUFFT) algorithm. We begin with the three-dimensional (3D) Gross-Pitaevskii equation (GPE) with a DDI term and present the corresponding two-dimensional (2D) model under a strongly anisotropic confining potential. Different from existing methods, the NUFFT based DDI solver removes the singularity by adopting the spherical/polar coordinates in the Fourier space in 3D/2D, respectively, thus it can achieve spectral accuracy in space and simultaneously maintain high efficiency by making full use of FFT and NUFFT whenever it is necessary and/or needed. Then, we incorporate this solver into existing successful methods for computing the ground state and dynamics of GPE with a DDI for dipolar BEC. Extensive numerical comparisons with existing methods are carried out for computing the DDI, ground states and dynamics of the dipolar BEC. Numerical results show that our new methods outperform existing methods in terms of both accuracy and efficiency.

In the semiclassical regime, solutions to the time-dependent Schrödinger equation for molecular dynamics are highly oscillatory. The number of grid points required for resolving the oscillations may become very large even for simple model problems, making solution on a grid intractable. Asymptotic methods like Gaussian beams can resolve the oscillations with little effort and yield good approximations when the atomic nuclei are heavy and the potential is smooth. However, when the potential has variations on a small length-scale, quantum phenomena become important. Then asymptotic methods are less accurate. The two classes of methods perform well in different parameter regimes. This opens for hybrid methods, using Gaussian beams where we can and finite differences where we have to. We propose a new method for treating the coupling between the finite difference method and Gaussian beams. The new method reduces the needed amount of overlap regions considerably compared to previous methods, which improves the efficiency.

We consider the semiclassical Schrödinger equation on a compact negatively curved surface. For any sequence of initial data microlocalized on the unit cotangent bundle, we look at the quantum evolution (below the Ehrenfest time) under small perturbations of the Schrödinger equation, and we prove that, in the semiclassical limit, and for typical perturbations, the solutions become equidistributed on the unit cotangent bundle.

We define and investigate, via numerical analysis, a one dimensional toy-model of a cloud chamber. An energetic quantum particle, whose initial state is a superposition of two identical wave packets with opposite average momentum, interacts during its evolution and exchanges (small amounts of) energy with an array of localized spins. Triggered by the interaction with the environment, the initial superposition state turns into an incoherent sum of two states describing the following situation: or the particle is going to the left and a large number of spins on the left side changed their states, or the same is happening on the right side. This evolution is reminiscent of what happens in a cloud chamber where a quantum particle, emitted as a spherical wave by a radioactive source, marks its passage inside a supersaturated vapour-chamber in the form of a sequence of small liquid bubbles arranging themselves around a possible classical trajectory of the particle.

We present an efficient method to solve the time dependent Schrodinger equation for modeling the dynamics of diatomic molecules irradiated by intense ultrashort laser pulse without Born-Oppenheimer approximation. By introducing a variable prolate spheroidal coordinates and discrete variable representations of the Hamiltonian, we can accurately and efficiently simulate the motion of both electronic and molecular dynamics. The accuracy and convergence of this method are tested by simulating the molecular structure, photon ionization and high harmonic generation of H+2

The present paper provides a numerical investigation of the decoherence effect induced on a quantum heavy particle by the scattering with a light one. The time dependent two-particle Schrödinger equation is solved by means of a time-splitting method. The damping undergone by the non-diagonal terms of the heavy particle density matrix is estimated numerically as well as the error in the Joos-Zeh approximation formula.

We suggest an alternative mathematical model for the electron in dimension 1+2. We think of our (1+2)-dimensional spacetime as an elastic continuum whose material points can experience no displacements, only rotations. This framework is a special case of the Cosserat theory of elasticity. Rotations of material points are described mathematically by attaching to each geometric point an orthonormal basis which gives a field of orthonormal bases called the coframe. As the dynamical variables (unknowns) of our theory we choose a coframe and a density. We then add an extra (third) spatial dimension, extend our coframe and density into dimension 1+3, choose a conformally invariant Lagrangian proportional to axial torsion squared, roll up the extra dimension into a circle so as to incorporate mass and return to our original (1+2)-dimensional spacetime by separating out the extra coordinate. The main result of our paper is the theorem stating that our model is equivalent to the Dirac equation in dimension 1+2. In the process of analysing our model we also establish an abstract result, identifying a class of nonlinear second order partial differential equations which reduce to pairs of linear first order equations.

We derive a perfectly matched layer (PML) for the Schrödinger equation using a modal ansatz. We derive approximate error formulas for the modeling error from the outer boundary of the PML and the error from the discretization in the layer and show how to choose layer parameters so that these errors are matched and optimal performance of the PML is obtained. Numerical computations in 1D and 2D demonstrate that the optimized PML works efficiently at a prescribed accuracy for the zero potential case, with a layer of width less than a third of the de Broglie wavelength corresponding to the dominating frequency.