Applied and Computational Mathematics (ACM)

Artificial Boundary Conditions

When computing numerically the solution of a partial differential equation in an unbounded domain usually artificial boundaries are introduced to limit the computational domain. Special boundary conditions are derived at this artificial boundaries to approximate the exact whole-space solution. If the solution of the problem on the bounded domain is equal to the whole-space solution (restricted to the computational domain) these boundary conditions are called transparent boundary conditions (TBCs).

We are concerned with TBCs for general Schrödinger-type pseudo-differential equations arising from `parabolic' equation (PE) models which have been widely used for one-way wave propagation problems in various application areas, e.g. (underwater) acoustics, seismology, optics and plasma physics. As a special case the Schrödinger equation of quantum mechanics is included.

Existing discretizations of these TBCs induce numerical reflections at this artificial boundary and also may destroy the stability of the used finite difference method. These problems do not occur when using a so-called discrete TBC which is derived from the fully discretized whole-space problem. This discrete TBC is reflection-free and conserves the stability properties of the whole-space scheme. We point out that the superiority of discrete TBCs over other discretizations of TBCs is not restricted to the presented special types of partial differential equations or to our particular interior discretization scheme.

Another problem is the high numerical effort. Since the discrete TBC includes a convolution with respect to time with a weakly decaying kernel, its numerical evaluation becomes very costly for long-time simulations. As a remedy we construct new approximative TBCs involving exponential sums as an approximation to the convolution kernel. This special approximation enables us to use a fast evaluation of the convolution type boundary condition.

Finally, to illustrate the broad range of applicability of our approach we derived efficient discrete artificial boundary conditions for the Black-Scholes equation of American options.

Software

Our approach was implemented by C.A. Moyer in the QMTools software package for quantum mechanical applications.

Publications



1998

793.

Feldmann, Uwe
CAD-based electric-circuit modeling in industry II: Impact of circuit configurations and parameters
Surveys on Mathematics for Industry, 8 (2) :131--158
1998
Herausgeber: Wien; New York: Springer-Verlag, 1991-c2005.

792.

Jacob, Birgit; Larsen, Mikael; Zwart, Hans
Corrections and extensions of: ``Optimal control of linear systems with almost periodic inputs" [SIAM J. Control Optim. \bf 25 (1987), no. 4, 1007--1019; MR0893995 (88i:93042)] by G. Da Prato and A. Ichikawa
SIAM J. Control Optim., 36 (4) :1473--1480
1998

791.

[german] Tausch, Michael W.; Balzer, M.
Die Ketone und das Licht
Praxis der Naturwissenschaften (Chemie), 47 (7) :14
1998

790.

Ehrhardt, Matthias
Discrete transparent boundary conditions for wide angle parabolic equations in underwater
Journal of Computational Physics, 145 :469--470
1998

789.

Ehrhardt, Matthias
Discrete Transparent Boundary Conditions For Wide Angle Parabolic Equations In Underwater Acoustics
Journal of Computational Physics, 145 :469-470
1998

788.

Ehrhardt, Matthias
Discrete transparent boundary conditions for wide angle parabolic equations in underwater acoustics
Journal of Computational Physics, 145 (2) :611–638
1998
Herausgeber: Elsevier

787.

Tausch, Michael W.; Grolmuss, A.; Piwek, B.
Echtfarben-Emissionsspektren EFES - Ein Beitrag zum Verständnis von Licht und Farbe
Praxis der Naturwissenschaften (Chemie), 47 (2) :10
1998

786.

Shestakov, Oleg; Breidohr, R.; Demes, H.; Setzer, Klaus-Dieter; Fink, Ewald H.
Electronic States and Spectra of BiO
Journal of Molecular Spectroscopy, 190 (1) :28-77
1998
Herausgeber: Academic Press

785.

Shestakov, Oleg; Breidohr, R.; Demes, H.; Setzer, Klaus-Dieter; Fink, Ewald H.
Electronic States and Spectra of BiO
Journal of Molecular Spectroscopy, 190 (1) :28-77
1998
Herausgeber: Academic Press

784.

Shestakov, Oleg; Breidohr, R.; Demes, H.; Setzer, Klaus-Dieter; Fink, Ewald H.
Electronic States and Spectra of BiO
Journal of Molecular Spectroscopy, 190 (1) :28-77
1998
Herausgeber: Academic Press

783.

Brasseur, G. P.; Cox, R. A.; Hauglustaine, D.; Isaksen, I.; Lelieveld, J.; Lister, D. H.; Sausen, R.; Schumann, Ulrich; Wahner, A.; Wiesen, Peter
European scientific assessment of the atmospheric effects of aircraft emissions
Atmospheric Environment, 32 (13) :2329-2418
1998

782.

Brasseur, G. P.; Cox, R. A.; Hauglustaine, D.; Isaksen, I.; Lelieveld, J.; Lister, D. H.; Sausen, R.; Schumann, Ulrich; Wahner, A.; Wiesen, Peter
European scientific assessment of the atmospheric effects of aircraft emissions
Atmospheric Environment, 32 (13) :2329-2418
1998

781.

Brasseur, G. P.; Cox, R. A.; Hauglustaine, D.; Isaksen, I.; Lelieveld, J.; Lister, D. H.; Sausen, R.; Schumann, Ulrich; Wahner, A.; Wiesen, Peter
European scientific assessment of the atmospheric effects of aircraft emissions
Atmospheric Environment, 32 (13) :2329-2418
1998

780.

Shestakov, Oleg; Gielen, R.; Setzer, Klaus-Dieter; Fink, Ewald H.
Gas phase LIF study of the b\(^{1}\)\(\Sigma\)\(^{+}\)(b0\(^{+}\)) ↔ X\(^{3}\)\(\Sigma\)\(^{-}\)(X\(_{1}\)0\(^{+}\),X\(_{2}\)1) transition of NI
Journal of Molecular Spectroscopy, 192 (1) :139-147
1998
Herausgeber: Academic Press

779.

Shestakov, Oleg; Gielen, R.; Setzer, Klaus-Dieter; Fink, Ewald H.
Gas phase LIF study of the b\(^{1}\)\(\Sigma\)\(^{+}\)(b0\(^{+}\)) ↔ X\(^{3}\)\(\Sigma\)\(^{-}\)(X\(_{1}\)0\(^{+}\),X\(_{2}\)1) transition of NI
Journal of Molecular Spectroscopy, 192 (1) :139-147
1998
Herausgeber: Academic Press

778.

Shestakov, Oleg; Gielen, R.; Setzer, Klaus-Dieter; Fink, Ewald H.
Gas phase LIF study of the b1Σ+(b0+) ↔ X3Σ-(X10+,X21) transition of NI
Journal of Molecular Spectroscopy, 192 (1) :139-147
1998
Herausgeber: Academic Press

777.

Adjiman, C.S.; Schweiger, C.A.; Floudas, C.A.
Handbook of Combinatorial Optimization
In Du, D.-Z. and Pardalos, P. M., Editor
Kapitel Mixed-Integer Nonlinear Optimization in Process Synthesis
Herausgeber: Kluwer Academic Publishers
1998

776.

Kleffmann, Jörg; Becker, Karl Heinz; Wiesen, Peter
Heterogeneous NO\(_{2}\) conversion processes on acid surfaces
Atmospheric Environment, 32 (16) :2721-2729
1998

775.

Kleffmann, Jörg; Becker, Karl Heinz; Wiesen, Peter
Heterogeneous NO\(_{2}\) conversion processes on acid surfaces
Atmospheric Environment, 32 (16) :2721-2729
1998

774.

Kleffmann, Jörg; Becker, Karl Heinz; Wiesen, Peter
Heterogeneous NO2 conversion processes on acid surfaces
Atmospheric Environment, 32 (16) :2721-2729
1998

773.

Ziebarth, K.; Setzer, Klaus-Dieter; Shestakov, Oleg; Fink, Ewald H.
High-resolution study of the X\(_{2}\) \(^{2}\)\(\Pi\)\(_{3/2}\) → X\(_{1}\) \(^{2}\)\(\Pi\)\(_{1/2}\) fine structure transitions of PbF and PbCl
Journal of Molecular Spectroscopy, 191 (1) :108-116
1998
Herausgeber: Academic Press

772.

Ziebarth, K.; Setzer, Klaus-Dieter; Shestakov, Oleg; Fink, Ewald H.
High-resolution study of the X\(_{2}\) \(^{2}\)\(\Pi\)\(_{3/2}\) → X\(_{1}\) \(^{2}\)\(\Pi\)\(_{1/2}\) fine structure transitions of PbF and PbCl
Journal of Molecular Spectroscopy, 191 (1) :108-116
1998
Herausgeber: Academic Press

771.

Ziebarth, K.; Setzer, Klaus-Dieter; Shestakov, Oleg; Fink, Ewald H.
High-resolution study of the X2 2Π3/2 → X1 2Π1/2 fine structure transitions of PbF and PbCl
Journal of Molecular Spectroscopy, 191 (1) :108-116
1998
Herausgeber: Academic Press

770.

Kleffmann, Jörg; Becker, Karl Heinz; Wiesen, Peter
Investigation of the heterogeneous NO\(_{2}\) conversion on perchloric acid surfaces
Journal of the Chemical Society - Faraday Transactions, 94 (21) :3289-3292
1998
Herausgeber: Royal Society of Chemistry

769.

Kleffmann, Jörg; Becker, Karl Heinz; Wiesen, Peter
Investigation of the heterogeneous NO\(_{2}\) conversion on perchloric acid surfaces
Journal of the Chemical Society - Faraday Transactions, 94 (21) :3289-3292
1998
Herausgeber: Royal Society of Chemistry