Spatial resolution of different discretizations over long-time for the Dirac equation with small potentials

We compare the long-time error bounds and spatial resolution of finite difference methods with different spatial discretizations for the Dirac equation with small electromagnetic potentials characterized by ε ∈ (0, 1] a dimensionless parameter. We begin with the simple and widely used finite difference time domain (FDTD) methods, and establish rigorous error bounds of them, which are valid up to the time at O(1/ε). In the error estimates, we pay particular attention to how the errors depend explicitly on the mesh size h and time step τ as well as the small parameter ε. Based on the results, in order to obtain “correct” numerical solutions up to the time at O(1/ε), the ε-scalability (or meshing strategy requirement) of the FDTD methods should be taken as h = O(ε) and τ = O(ε). To improve the spatial resolution capacity, we apply the Fourier spectral method to discretize the Dirac equation in space. Error bounds of the resulting finite difference Fourier pseudospectral (FDFP) methods show that they exhibit uniform spatial errors in the long-time regime, which are optimal in space as suggested by the Shannon’s sampling theorem. Extensive numerical results are reported to confirm the error bounds and demonstrate that they are sharp.

[1]  Jia Yin,et al.  Error Bounds of the Finite Difference Time Domain Methods for the Dirac Equation in the Semiclassical Regime , 2019, Journal of Scientific Computing.

[2]  Haozhao Liang,et al.  Hidden pseudospin and spin symmetries and their origins in atomic nuclei , 2014, 1411.6774.

[3]  G. Smith,et al.  Numerical Solution of Partial Differential Equations: Finite Difference Methods , 1978 .

[4]  Bernd Thaller,et al.  A rigorous approach to relativistic corrections of bound state energies for spin-1/2 particles , 1984 .

[5]  Jie Shen,et al.  Spectral and Pseudospectral Approximations Using Hermite Functions: Application to the Dirac Equation , 2003, Adv. Comput. Math..

[6]  Herbert Steinrück,et al.  The ‘electromagnetic’ Wigner equation for an electron with spin , 1989 .

[7]  Anadijiban Das,et al.  A class of exact plane wave solutions of the Maxwell–Dirac equations , 1989 .

[8]  John V. Shebalin,et al.  Numerical solution of the coupled Dirac and Maxwell equations , 1997 .

[9]  Semiclassical asymptotics for the Maxwell–Dirac system , 2003, math-ph/0305009.

[10]  Sihong Shao,et al.  Numerical methods for nonlinear Dirac equation , 2012, J. Comput. Phys..

[11]  W. Bao,et al.  A fourth-order compact time-splitting Fourier pseudospectral method for the Dirac equation , 2017, Research in the Mathematical Sciences.

[12]  P. Blackett The Positive Electron , 1933, Nature.

[13]  Anadijiban Das,et al.  General solutions of Maxwell-Dirac equations in 1+1-dimensional space-time and a spatially confined solution , 1993 .

[14]  André D. Bandrauk,et al.  A split-step numerical method for the time-dependent Dirac equation in 3-D axisymmetric geometry , 2013, J. Comput. Phys..

[15]  François Fillion-Gourdeau,et al.  Resonantly enhanced pair production in a simple diatomic model. , 2013, Physical review letters.

[16]  Laurent Gosse,et al.  A well-balanced and asymptotic-preserving scheme for the one-dimensional linear Dirac equation , 2015 .

[17]  Michael I. Weinstein,et al.  Wave Packets in Honeycomb Structures and Two-Dimensional Dirac Equations , 2012, 1212.6072.

[18]  Maria J. Esteban,et al.  Existence and multiplicity of solutions for linear and nonlinear Dirac problems , 1997 .

[19]  Michael I. Weinstein,et al.  Honeycomb Lattice Potentials and Dirac Points , 2012, 1202.3839.

[20]  W. Bao,et al.  Long Time Error Analysis of Finite Difference Time Domain Methods for the Nonlinear Klein-Gordon Equation with Weak Nonlinearity , 2019, Communications in Computational Physics.

[21]  Xu Yang,et al.  A numerical study of the Gaussian beam methods for one-dimensional Schrodinger-Poisson equations ⁄ , 2009 .

[22]  P. Markowich,et al.  On time-splitting spectral approximations for the Schrödinger equation in the semiclassical regime , 2002 .

[23]  Christof Sparber,et al.  Semiclassical Asymptotics for Weakly Nonlinear Bloch Waves , 2004 .

[24]  Andre K. Geim,et al.  Electric Field Effect in Atomically Thin Carbon Films , 2004, Science.

[25]  Herbert Spohn Semiclassical Limit of the Dirac Equation and Spin Precession , 2000 .

[26]  Guillaume Dujardin,et al.  Long time behavior of splitting methods applied to the linear Schrödinger equation , 2007 .

[27]  Peter Ring,et al.  Relativistic mean field theory in finite nuclei , 1996 .

[28]  Xiaowei Jia,et al.  Numerical Methods and Comparison for the Dirac Equation in the Nonrelativistic Limit Regime , 2015, J. Sci. Comput..

[29]  Yue Feng,et al.  Long time error analysis of the fourth‐order compact finite difference methods for the nonlinear Klein–Gordon equation with weak nonlinearity , 2020, Numerical Methods for Partial Differential Equations.

[30]  Rainer Grobe,et al.  Numerical approach to solve the time-dependent Dirac equation , 1999 .

[31]  E. Tadmor A review of numerical methods for nonlinear partial differential equations , 2012 .

[32]  K. Novoselov,et al.  Giant Nonlocality Near the Dirac Point in Graphene , 2011, Science.

[33]  Leonard Gross,et al.  The cauchy problem for the coupled maxwell and dirac equations , 2010 .

[34]  Weizhu Bao,et al.  Uniform error bounds of time-splitting methods for the nonlinear Dirac equation in the nonrelativistic limit regime , 2019, ArXiv.

[35]  Xiaowei Jia,et al.  A Uniformly Accurate Multiscale Time Integrator Pseudospectral Method for the Dirac Equation in the Nonrelativistic Limit Regime , 2015, SIAM J. Numer. Anal..

[36]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[37]  Jie Shen,et al.  Spectral and High-Order Methods with Applications , 2006 .

[38]  P. Dirac The quantum theory of the electron , 1928 .

[39]  Weizhu Bao,et al.  Super-resolution of time-splitting methods for the Dirac equation in the nonrelativistic regime , 2018, Math. Comput..

[40]  Guillaume Dujardin,et al.  Normal form and long time analysis of splitting schemes for the linear Schrödinger equation with small potential , 2007, Numerische Mathematik.

[41]  Clemens Heitzinger,et al.  A convergent 2D finite-difference scheme for the Dirac-Poisson system and the simulation of graphene , 2014, J. Comput. Phys..

[42]  Dongsheng Yin,et al.  Gaussian Beam Methods for the Dirac Equation in the Semi-classical Regime , 2012, 1205.0543.

[43]  André D. Bandrauk,et al.  Numerical solution of the time-dependent Dirac equation in coordinate space without fermion-doubling , 2011, Comput. Phys. Commun..

[44]  W. Heitler The Principles of Quantum Mechanics , 1947, Nature.

[45]  F. Guinea,et al.  The electronic properties of graphene , 2007, Reviews of Modern Physics.

[46]  W. Bao,et al.  Error estimates of numerical methods for the nonlinear Dirac equation in the nonrelativistic limit regime , 2015, 1511.01192.

[47]  W. Bao,et al.  MATHEMATICAL THEORY AND NUMERICAL METHODS FOR , 2012 .

[48]  Edward Ackad,et al.  Numerical solution of the Dirac equation by a mapped Fourier grid method , 2005 .

[49]  Yi Zhu,et al.  Nonlinear Waves in Shallow Honeycomb Lattices , 2012, SIAM J. Appl. Math..