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## A splitting higher order scheme with discrete transparent boundary conditions for the Schrödinger equation in a semi-infinite parallelepiped

Cornell University
,
2013.
No. 1309.7280.

An initial-boundary value problem for the $n$-dimensional ($n\geq 2$) time-dependent Schrödinger equation in a semi-infinite (or infinite) parallelepiped is considered. Starting from the Numerov-Crank-Nicolson finite-difference scheme, we first construct higher order scheme with splitting space averages having much better spectral properties for $n\geq 3$. Next we apply the Strang-type splitting with respect to the potential and, third, construct discrete transparent boundary conditions (TBC). For the resulting method, the uniqueness of solution and the unconditional uniform in time $L^2$-stability (in particular, $L^2$-conservativeness) are proved. Owing to the splitting, an effective direct algorithm using FFT (in the coordinate directions perpendicular to the leading axis of the parallelepiped) is applicable for general potential. Numerical results on the 2D tunnel effect for a P\"{o}schl-Teller-like potential-barrier and a rectangular potential-well are also included.

Priority areas:
IT and mathematics

Language:
English

Keywords: устойчивостьdiscrete transparent boundary conditionsstabilityдискретные прозрачные граничные условиясхематуннельный эффектнестационарное уравнение Шрёдингераthe Crank-Nicolson finite-difference schemeThe Strang splittingрасщепление Стренгаtunnel effectthe time-dependent Schrodinger equationдискретизация Кранк-Никольсон по времениhigher-order schemeразностная схема повышенного порядка

Zlotnik A., Romanova A. V., / Cornell University. Series math "arxiv.org". 2013. No. arxiv: 1307.5398.

We consider an initial-boundary value problem for a 2D time-dependent Schrödinger equation on a semi-infinite strip. For the Numerov-Crank-Nicolson finite-difference scheme with discrete transparent boundary conditions, the Strang-type splitting with respect to the potential is applied. For the resulting method, the uniqueness of a solution and the uniform in time L_2-stability (in particular, L_2-conservativeness) are ...

Added: July 24, 2013

Ducomet B., Zlotnik A., Zlotnik I. A., / Cornell University. Series math "arxiv.org". 2013. No. arxiv: 1303.3471.

We consider an initial-boundary value problem for a generalized 2D time-dependent Schrödinger equation on a semi-infinite strip. For the Crank-Nicolson finite-difference scheme with approximate or discrete transparent boundary conditions (TBCs), the Strang-type splitting with respect to the potential is applied. For the resulting method, the uniform in time L2-stability is proved. Due to the ...

Added: March 16, 2013

Ducomet Bernard, Zlotnik Alexander, Romanova Alla, Applied Mathematics and Computation 2015 Vol. 255 P. 195–206

An initial-boundary value problem for the n -dimensional ($n\geq 2$) time-dependent Schrödinger equation in a semi-infinite parallelepiped is considered. Starting from the Numerov–Crank–Nicolson finite-difference scheme, we first construct higher order scheme with splitting space averages having much better spectral properties for $n\geq 3$. Next we apply the Strang-type splitting with respect to the potential and, third, construct discrete ...

Added: October 10, 2014

Ducomet Bernard, Zlotnik Alexander, Zlotnik Ilya, ESAIM: Mathematical Modelling and Numerical Analysis 2014 Vol. 48 No. 6 P. 1681–1699

We consider an initial-boundary value problem for a generalized 2D time-dependent Schrödinger equation (with variable coefficients) on a semi-infinite strip. For the Crank-Nicolson-type finite-difference scheme with approximate or discrete transparent boundary conditions (TBCs), the Strang-type splitting with respect to the potential is applied. For the resulting method, the unconditional uniform in time $L^2$-stability is proved. ...

Added: May 23, 2014

Zlotnik Alexander, / Cornell University. Series math "arxiv.org". 2015.

We deal with an initial-boundary value problem for the generalized time-dependent Schr\"odinger equation with variable coefficients in an unbounded $n$--dimensional parallelepiped ($n\geq 1$). To solve it, the Crank-Nicolson in time and the polylinear finite element in space method with the discrete transpa\-rent boundary conditions is considered. We present its stability properties and derive new error ...

Added: March 27, 2015

Zlotnik Alexander, Ducomet Bernard, Zlotnik Ilya et al., , in : Numerical Mathematics and Advanced Applications - ENUMATH 2013. Vol. 103.: Springer, 2015. P. 203–211.

The time-dependent Schrödinger equation is the key one in many fields. It should be often solved in unbounded space domains. Several approaches are known to deal with such problems using approximate transparent boundary conditions (TBCs) on the artificial boundaries. Among them, there exist the so-called discrete TBCs whose advantages are the complete absence of spurious ...

Added: October 10, 2014

Zlotnik Alexander, Zlotnik Ilya, Computational Methods in Applied Mathematics 2015 Vol. 15 No. 2 P. 233–245

We consider the Cauchy problem for the 1D generalized Schrὅdinger equation on the whole axis. To solve it, any order finite element in space and the Crank-Nicolson in time method with the discrete transpa\-rent boundary conditions (TBCs) has recently been constructed. Now we engage the global Richardson extrapolation in time to derive the high order ...

Added: March 3, 2015

Zlotnik A., Romanova A., Applied Numerical Mathematics 2015 Vol. 93 P. 279–294

We consider an initial-boundary value problem for a 2D time-dependent Schrödinger equation on a semi-infinite strip. For the Numerov-Crank-Nicolson finite-difference scheme with discrete transparent boundary conditions, the Strang-type splitting with respect to the potential is applied. For the resulting method, the uniqueness of a solution and the uniform in time $L^2$-stability (in particular, $L^2$-conservativeness) together ...

Added: November 30, 2013

Zlotnik A., Koltsova N., Computational Methods in Applied Mathematics 2013 Vol. 13 No. 2 P. 119–138

An initial-boundary value problem for the 1D self-adjoint parabolic equation on the half-axis is solved. We study a broad family of two-level finite-difference schemes with two parameters related to averages both in time and space. Stability in two norms is proved by the energy method. Also discrete transparent boundary conditions are rigorously derived for schemes ...

Added: April 6, 2013

Zlotnik A., В кн. : Актуальные проблемы математической физики. Сборник тезисов докладов. : М.: Физический факультет МГУ им. М.В. Ломоносова, 2014. С. 48–51.

Уравнение Шрёдингера играет важную роль в квантовой механике и электронике, ядерной, атомной, волновой физике и др. Часто его необходимо решать в неограниченных областях. Для этой цели разработан ряд методов, обычно использующих приближенные прозрачные граничные условия (ПГУ) на искусственных границах, в том числе дискретные ПГУ. Для последних полностью отсутствуют отражения от искусственных границ на практике и ...

Added: November 28, 2014

Zlotnik Alexander, Zlotnik Ilya, / Cornell University. Series math "arxiv.org". 2014. No. arXiv:1405.3147.

We consider the Cauchy problem for the 1D generalized Schrödinger equation on the whole axis. To solve it, any order finite element in space and the Crank-Nicolson in time method with the discrete transpa\-rent boundary conditions (TBCs) has recently been constructed. Now we engage the Richardson extrapolation to improve significantly the accuracy in time step. ...

Added: May 14, 2014

Zlotnik A., Zlotnik I. A., Kinetic and Related Models 2012 Vol. 5 No. 3 P. 639–667

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 ...

Added: March 21, 2013

Zlotnik Alexander, Kinetic and Related Models 2015 Vol. 8 No. 3 P. 587–613

We deal with the initial-boundary value problem for the 1D time-dependent Schrödinger equation on the half-axis. The scheme with the Numerov averages on the non-uniform space mesh and of the Crank-Nicolson type in time is studied, with some approximate transparent boundary conditions (TBCs). Deriving bounds for the skew-Hermitian parts of the Numerov sesquilinear forms, we ...

Added: November 27, 2014

Burov A. A., Герман А. Д., Косенко И. И. et al., Acta Astronautica 2018 Vol. 143 P. 126–132

Relative equilibria of a pendulum attached to the surface of a uniformly rotating celestial body are considered. The locations of the tether anchor that correspond to a given spacecraft position are defined. The domains, where the spacecraft can be held with the help of such a pendulum, are also described. Stability of the found relative ...

Added: September 10, 2018

Zlotnik A.A., Zlotnik I. A., Доклады Академии наук 2012 Vol. 86 No. 3 P. 750–755

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 ...

Added: October 4, 2012

Trautmann P., Vexler B., Zlotnik A., Mathematical Control and Related Fields 2018 Vol. 8 No. 2 P. 411–449

This work is concerned with the optimal control problems governed by the 1D wave equation with variable coefficients and the control spaces $\mathcal M_T$ of either measure-valued functions $L^2(I,\mathcal M(\Omega))$ or vector measures $\mathcal M(\Omega,L^2(I))$. The cost functional involves the standard quadratic terms and the regularization term $\alpha\|u\|_{\mathcal M_T}$, $\alpha>0$. We construct and study three-level ...

Added: April 8, 2017

СПб.: Издательство Санкт-Петербургского университета, 2008

В сборнике представлены результаты исследований по механике сплошной среды, в основном задач колебаний и устойчивости упругих конструкций. Характерной чертой исследований является использование разнообразных компьютерных методов: методов вычислительной механики сплошной среды, компьютерной алгебры, визуализации и др. Анализ опирается на сопоставление данных, полученных в различных подходах, причем наиболее часто сопоставляются результаты, полученные асимптотическими методами и по методу ...

Added: February 4, 2013

Zlotnik A., , in : Finite Difference Methods, Theory and Applications 6th International Conference, FDM 2014, Lozenetz, Bulgaria, June 18-23, 2014, Revised Selected Papers. Vol. 9045.: Zürich: Springer, 2015. P. 129–141.

We deal with an initial-boundary value problem for the generalized time-dependent Schrödinger equation with variable coefficients in an unbounded $n$-dimensional parallelepiped ($n\geq 1$). To solve it, the Crank-Nicolson in time and the polylinear finite element in space method with the discrete transparent boundary conditions is considered. We present its stability properties and derive new error ...

Added: March 23, 2015

Zlotnik A., Zlotnik I. A., Доклады Академии наук 2011 Т. 436 № 1 С. 19–25

An initial–boundary value problem for the generalized Schrödinger equation in a semi-infinite strip is solved.
A new family of two level finite-difference schemes with averaging over spatial variables on a finite mesh is constructed, which covers a set of finite-difference schemes built using various methods. For the family, an abstract approximate transparent boundary condition (TBC) is ...

Added: July 5, 2012

Zlotnik A., Koltsova N., / Cornell University. Series math "arxiv.org". 2012. No. arXiv:1211.3613 [math.NA].

An initial-boundary value problem for the 1D self-adjoint parabolic equation on the half-axis is solved. We study a broad family of two-level finite-difference schemes with two parameters related to averagings both in time and space. Stability in two norms is proved by the energy method. Also discrete transparent boundary conditions are rigorously derived for schemes ...

Added: January 25, 2013

Madera A. G., Компьютерные исследования и моделирование 2019 Т. 11 № 4 С. 613–630

A hierarchical method of mathematical and computer modeling of interval-stochastic thermal processes in complex electronic systems for various purposes is developed. The developed concept of hierarchical structuring reflects both the constructive hierarchy of a complex electronic system and the hierarchy of mathematical models of heat exchange processes. Thermal processes that take into account various physical ...

Added: November 1, 2019

Rulkov N., Hunt A. M., Rulkov P. et al., American Journal of Engineering and Applied Sciences 2016 Vol. 9 No. 4 P. 973–984

The discreet-time (map-based) approach to modeling nonlinear dynamics of spiking and spiking-bursting activity of neurons has demonstrated its very high efficiency in simulations of neuro-biologically realistic behavior both in large-scale network models for brain activity studies and in real-time operation of Central Pattern Generator network models for biomimetic robotics. This paper studies the next step ...

Added: January 15, 2017

Чупров И. А., Efremenko D., Gao J. et al., / arXiv. Series 2209 "[cs.NE]". 2022. No. 2209.14641.

Single-mode optical fibers (SMFs) have become the backbone of modern communication systems. However, their throughput is expected to reach its theoretical limit in the nearest future. Utilization of multimode fibers (MMFs) is considered as one of the most promising solutions rectifying this capacity crunch. Nevertheless, differential equations describing light propagation in MMFs are a way ...

Added: January 20, 2024

М.: Физический факультет МГУ им. М.В. Ломоносова, 2014

Сборник тезисов докладов Международного научного семинара Актуальные проблемы математической физики. МГу им. М.В. Ломоносова, 28-29 ноября 2014 г. ...

Added: November 28, 2014