American Institute of Mathematical Sciences

Advanced
September  2012, 5(3): 639-667. doi: 10.3934/krm.2012.5.639

Finite element method with discrete transparent boundary conditions for the time-dependent 1D Schrödinger equation

Alexander Zlotnik 1, and  Ilya Zlotnik 2,

1. 

Department of Mathematics at Faculty of Economics Sciences, National Research University Higher School of Economics, Myasnitskaya 20, 101000 Moscow, Russian Federation
2. 

Department of Mathematical Modelling, Moscow Power Engineering Institute, Krasnokazarmennaya 14, 111250 Moscow, Russian Federation

Received  March 2012 Revised  May 2012 Published  August 2012

We consider the time-dependent 1D Schrödinger equation on the half-axis with variable coefficients becoming constant for large $x$. We study a two-level symmetric in time (i.e. the Crank-Nicolson) and any order finite element in space numerical method to solve it. The method is coupled to an approximate transparent boundary condition (TBC). We prove uniform in time stability with respect to initial data and a free term in two norms, under suitable conditions on an operator in the approximate TBC. We also consider the corresponding method on an infinite mesh on the half-axis. We derive explicitly the discrete TBC allowing us to restrict the latter method to a finite mesh. The operator in the discrete TBC is a discrete convolution in time; in turn its kernel is a multiple discrete convolution. The stability conditions are justified for it. The accomplished computations confirm that high order finite elements coupled to the discrete TBC are effective even in the case of highly oscillating solutions and discontinuous potentials.
Keywords: approximate and discrete transparent boundary conditions, The time-dependent Schrödinger equation, the tunnel effect., stability, finite element method, discrete convolution operator, Galerkin method.
Mathematics Subject Classification: 65M60, 65M12, 65M06, 35Q4.
Citation: Alexander Zlotnik, Ilya Zlotnik. Finite element method with discrete transparent boundary conditions for the time-dependent 1D Schrödinger equation. Kinetic & Related Models, 2012, 5 (3) : 639-667. doi: 10.3934/krm.2012.5.639
References:
[1]

X. Antoine, A. Arnold, C. Besse, M. Ehrhardt and A. Schädle, A review of transparent and artificial boundary conditions techniques for linear and nonlinear Schrödinger equations,, Commun. Comp. Phys., 4 (2008), 729. Google Scholar

[2]

X. Antoine and C. Besse, Unconditionally stable discretization schemes of non-reflecting boundary conditions for the one-dimensional Schrödinger equation,, J. Comp. Phys., 188 (2003), 157. doi: 10.1016/S0021-9991(03)00159-1. Google Scholar

[3]

A. Arnold, Numerically absorbing boundary conditions for quantum evolution equations,, VLSI Design, 6 (1998), 313. Google Scholar

[4]

A. Arnold, M. Ehrhardt and I. Sofronov, Discrete transparent boundary conditions for the Schrödinger equation: Fast calculations, approximation, and stability,, Comm. Math. Sci., 1 (2003), 501. Google Scholar

[5]

B. Ducomet and A. Zlotnik, On stability of the Crank-Nicolson scheme with approximate transparent boundary conditions for the Schrödinger equation. I,, Comm. Math. Sci., 4 (2006), 741. Google Scholar

[6]

B. Ducomet and A. Zlotnik, On stability of the Crank-Nicolson scheme with approximate transparent boundary conditions for the Schrödinger equation. II,, Comm. Math. Sci., 5 (2007), 267. Google Scholar

[7]

B. Ducomet, A. Zlotnik and I. Zlotnik, On a family of finite-difference schemes with approximate transparent boundary conditions for a generalized 1D Schrödinger equation,, Kinetic and Related Models, 2 (2009), 151. Google Scholar

[8]

M. Ehrhardt and A. Arnold, Discrete transparent boundary conditions for the Schrödinger equation,, Riv. Mat. Univ. Parma (6), 4 (2001), 57. Google Scholar

[9]

V. A. Gordin, "Mathematical Problems in Hydrodynamical Weather Forecasting. Computational Aspects," (in Russian), "Gidrometeoizdat," Leningrad, 1987;, Abridged English version:, (2000). Google Scholar

[10]

R. A. Horn and C. R. Johnson, "Matrix Analysis,", Cambridge University Press, (1985). Google Scholar

[11]

J. Jin and X. Wu, Analysis of finite element method for one-dimensional time-dependent Schrödinger equation on unbounded domains,, J. Comp. Appl. Math., 220 (2008), 240. doi: 10.1016/j.cam.2007.08.006. Google Scholar

[12]

C. A. Moyer, Numerov extension of transparent boundary conditions for the Schrödinger equation discretized in one dimension,, Am. J. Phys., 72 (2004), 351. doi: 10.1119/1.1619141. Google Scholar

[13]

F. Schmidt and D. Yevick, Discrete transparent boundary conditions for Schrödinger-type equations,, J. Comp. Phys., 134 (1997), 96. doi: 10.1006/jcph.1997.5675. Google Scholar

[14]

M. Schulte and A. Arnold, Discrete transparent boundary conditions for the Schrödinger equation-a compact higher order scheme,, Kinetic and Related Models, 1 (2008), 101. Google Scholar

[15]

G. Strang and G. Fix, "An Analysis of the Finite Element Method,", Prentice-Hall Series in Automatic Computation, (1973). Google Scholar

[16]

I. A. Zlotnik, Computer simulation of the tunnel effect,, (in Russian), 6 (2010), 10. Google Scholar

[17]

I. A. Zlotnik, A family of difference schemes with approximate transparent boundary conditions for the generalized nonstationary Schrödinger equation in a half-strip,, Comput. Math. Math. Phys., 51 (2011), 355. doi: 10.1134/S0965542511030122. Google Scholar

show all references

References:
[1]

X. Antoine, A. Arnold, C. Besse, M. Ehrhardt and A. Schädle, A review of transparent and artificial boundary conditions techniques for linear and nonlinear Schrödinger equations,, Commun. Comp. Phys., 4 (2008), 729. Google Scholar

[2]

X. Antoine and C. Besse, Unconditionally stable discretization schemes of non-reflecting boundary conditions for the one-dimensional Schrödinger equation,, J. Comp. Phys., 188 (2003), 157. doi: 10.1016/S0021-9991(03)00159-1. Google Scholar

[3]

A. Arnold, Numerically absorbing boundary conditions for quantum evolution equations,, VLSI Design, 6 (1998), 313. Google Scholar

[4]

A. Arnold, M. Ehrhardt and I. Sofronov, Discrete transparent boundary conditions for the Schrödinger equation: Fast calculations, approximation, and stability,, Comm. Math. Sci., 1 (2003), 501. Google Scholar

[5]

B. Ducomet and A. Zlotnik, On stability of the Crank-Nicolson scheme with approximate transparent boundary conditions for the Schrödinger equation. I,, Comm. Math. Sci., 4 (2006), 741. Google Scholar

[6]

B. Ducomet and A. Zlotnik, On stability of the Crank-Nicolson scheme with approximate transparent boundary conditions for the Schrödinger equation. II,, Comm. Math. Sci., 5 (2007), 267. Google Scholar

[7]

B. Ducomet, A. Zlotnik and I. Zlotnik, On a family of finite-difference schemes with approximate transparent boundary conditions for a generalized 1D Schrödinger equation,, Kinetic and Related Models, 2 (2009), 151. Google Scholar

[8]

M. Ehrhardt and A. Arnold, Discrete transparent boundary conditions for the Schrödinger equation,, Riv. Mat. Univ. Parma (6), 4 (2001), 57. Google Scholar

[9]

V. A. Gordin, "Mathematical Problems in Hydrodynamical Weather Forecasting. Computational Aspects," (in Russian), "Gidrometeoizdat," Leningrad, 1987;, Abridged English version:, (2000). Google Scholar

[10]

R. A. Horn and C. R. Johnson, "Matrix Analysis,", Cambridge University Press, (1985). Google Scholar

[11]

J. Jin and X. Wu, Analysis of finite element method for one-dimensional time-dependent Schrödinger equation on unbounded domains,, J. Comp. Appl. Math., 220 (2008), 240. doi: 10.1016/j.cam.2007.08.006. Google Scholar

[12]

C. A. Moyer, Numerov extension of transparent boundary conditions for the Schrödinger equation discretized in one dimension,, Am. J. Phys., 72 (2004), 351. doi: 10.1119/1.1619141. Google Scholar

[13]

F. Schmidt and D. Yevick, Discrete transparent boundary conditions for Schrödinger-type equations,, J. Comp. Phys., 134 (1997), 96. doi: 10.1006/jcph.1997.5675. Google Scholar

[14]

M. Schulte and A. Arnold, Discrete transparent boundary conditions for the Schrödinger equation-a compact higher order scheme,, Kinetic and Related Models, 1 (2008), 101. Google Scholar

[15]

G. Strang and G. Fix, "An Analysis of the Finite Element Method,", Prentice-Hall Series in Automatic Computation, (1973). Google Scholar

[16]

I. A. Zlotnik, Computer simulation of the tunnel effect,, (in Russian), 6 (2010), 10. Google Scholar

[17]

I. A. Zlotnik, A family of difference schemes with approximate transparent boundary conditions for the generalized nonstationary Schrödinger equation in a half-strip,, Comput. Math. Math. Phys., 51 (2011), 355. doi: 10.1134/S0965542511030122. Google Scholar

[1]

Bernard Ducomet, Alexander Zlotnik, Ilya Zlotnik. On a family of finite-difference schemes with approximate transparent boundary conditions for a generalized 1D Schrödinger equation. Kinetic & Related Models, 2009, 2 (1) : 151-179. doi: 10.3934/krm.2009.2.151
[2]

Maike Schulte, Anton Arnold. Discrete transparent boundary conditions for the Schrodinger equation -- a compact higher order scheme. Kinetic & Related Models, 2008, 1 (1) : 101-125. doi: 10.3934/krm.2008.1.101
[3]

Daniele Boffi, Lucia Gastaldi. Discrete models for fluid-structure interactions: The finite element Immersed Boundary Method. Discrete & Continuous Dynamical Systems - S, 2016, 9 (1) : 89-107. doi: 10.3934/dcdss.2016.9.89
[4]

Kun Wang, Yinnian He, Yueqiang Shang. Fully discrete finite element method for the viscoelastic fluid motion equations. Discrete & Continuous Dynamical Systems - B, 2010, 13 (3) : 665-684. doi: 10.3934/dcdsb.2010.13.665
[5]

Holger Teismann. The Schrödinger equation with singular time-dependent potentials. Discrete & Continuous Dynamical Systems - A, 2000, 6 (3) : 705-722. doi: 10.3934/dcds.2000.6.705
[6]

Runchang Lin, Huiqing Zhu. A discontinuous Galerkin least-squares finite element method for solving Fisher's equation. Conference Publications, 2013, 2013 (special) : 489-497. doi: 10.3934/proc.2013.2013.489
[7]

Tetsu Mizumachi, Dmitry Pelinovsky. On the asymptotic stability of localized modes in the discrete nonlinear Schrödinger equation. Discrete & Continuous Dynamical Systems - S, 2012, 5 (5) : 971-987. doi: 10.3934/dcdss.2012.5.971
[8]

Chaoxu Pei, Mark Sussman, M. Yousuff Hussaini. A space-time discontinuous Galerkin spectral element method for the Stefan problem. Discrete & Continuous Dynamical Systems - B, 2018, 23 (9) : 3595-3622. doi: 10.3934/dcdsb.2017216
[9]

Hristo Genev, George Venkov. Soliton and blow-up solutions to the time-dependent Schrödinger-Hartree equation. Discrete & Continuous Dynamical Systems - S, 2012, 5 (5) : 903-923. doi: 10.3934/dcdss.2012.5.903
[10]

Z.G. Feng, K.L. Teo, Y. Zhao. Branch and bound method for sensor scheduling in discrete time. Journal of Industrial & Management Optimization, 2005, 1 (4) : 499-512. doi: 10.3934/jimo.2005.1.499
[11]

Alexander Zlotnik. The Numerov-Crank-Nicolson scheme on a non-uniform mesh for the time-dependent Schrödinger equation on the half-axis. Kinetic & Related Models, 2015, 8 (3) : 587-613. doi: 10.3934/krm.2015.8.587
[12]

Joel Andersson, Leo Tzou. Stability for a magnetic Schrödinger operator on a Riemann surface with boundary. Inverse Problems & Imaging, 2018, 12 (1) : 1-28. doi: 10.3934/ipi.2018001
[13]

Yingwen Guo, Yinnian He. Fully discrete finite element method based on second-order Crank-Nicolson/Adams-Bashforth scheme for the equations of motion of Oldroyd fluids of order one. Discrete & Continuous Dynamical Systems - B, 2015, 20 (8) : 2583-2609. doi: 10.3934/dcdsb.2015.20.2583
[14]

In-Jee Jeong, Benoit Pausader. Discrete Schrödinger equation and ill-posedness for the Euler equation. Discrete & Continuous Dynamical Systems - A, 2017, 37 (1) : 281-293. doi: 10.3934/dcds.2017012
[15]

P. Cerejeiras, U. Kähler, M. M. Rodrigues, N. Vieira. Hodge type decomposition in variable exponent spaces for the time-dependent operators: the Schrödinger case. Communications on Pure & Applied Analysis, 2014, 13 (6) : 2253-2272. doi: 10.3934/cpaa.2014.13.2253
[16]

Caterina Calgaro, Meriem Ezzoug, Ezzeddine Zahrouni. Stability and convergence of an hybrid finite volume-finite element method for a multiphasic incompressible fluid model. Communications on Pure & Applied Analysis, 2018, 17 (2) : 429-448. doi: 10.3934/cpaa.2018024
[17]

Mahboub Baccouch. Superconvergence of the semi-discrete local discontinuous Galerkin method for nonlinear KdV-type problems. Discrete & Continuous Dynamical Systems - B, 2019, 24 (1) : 19-54. doi: 10.3934/dcdsb.2018104
[18]

Martin Kružík, Johannes Zimmer. Rate-independent processes with linear growth energies and time-dependent boundary conditions. Discrete & Continuous Dynamical Systems - S, 2012, 5 (3) : 591-604. doi: 10.3934/dcdss.2012.5.591
[19]

Vladimir Gaitsgory, Alex Parkinson, Ilya Shvartsman. Linear programming based optimality conditions and approximate solution of a deterministic infinite horizon discounted optimal control problem in discrete time. Discrete & Continuous Dynamical Systems - B, 2019, 24 (4) : 1743-1767. doi: 10.3934/dcdsb.2018235
[20]

Cornel M. Murea, H. G. E. Hentschel. A finite element method for growth in biological development. Mathematical Biosciences & Engineering, 2007, 4 (2) : 339-353. doi: 10.3934/mbe.2007.4.339

2018 Impact Factor: 1.38

Tools

Metrics

  • PDF downloads (9)
  • HTML views (0)
  • Cited by (3)

Other articles
by authors

[Back to Top]

Copyright © 2019 American Institute of Mathematical Sciences