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

768.

Kleffmann, Jörg; Becker, Karl Heinz; Wiesen, Peter
Investigation of the heterogeneous NO2 conversion on perchloric acid surfaces
Journal of the Chemical Society - Faraday Transactions, 94 (21) :3289-3292
1998
Herausgeber: Royal Society of Chemistry

767.

Shestakov, Oleg; Gielen, R.; Fink, Ewald H.
LIF Studies of the A\verb=~= \(^{1}\)A' States of BiOH and BiOD
Journal of Molecular Spectroscopy, 192 (1) :111-118
1998
Herausgeber: Academic Press

766.

Shestakov, Oleg; Gielen, R.; Fink, Ewald H.
LIF Studies of the A\verb=~= \(^{1}\)A' States of BiOH and BiOD
Journal of Molecular Spectroscopy, 192 (1) :111-118
1998
Herausgeber: Academic Press

765.

Shestakov, Oleg; Gielen, R.; Fink, Ewald H.
LIF Studies of the A~ 1A' States of BiOH and BiOD
Journal of Molecular Spectroscopy, 192 (1) :111-118
1998
Herausgeber: Academic Press

764.

Shestakov, Oleg; Gielen, R.; Pravilov, A. M.; Setzer, Klaus-Dieter; Fink, Ewald H.
LIF study of the b\(^{1}\)\(\Sigma\)\(^{+}\)(b0\(^{+}\)) ↔ X\(^{3}\)\(\Sigma\)\(^{-}\)(X\(_{1}\)0\(^{+}\),X\(_{2}\)1) transitions of SbH and SbD
Journal of Molecular Spectroscopy, 191 (1) :199-205
1998
Herausgeber: Academic Press

763.

Shestakov, Oleg; Gielen, R.; Pravilov, A. M.; Setzer, Klaus-Dieter; Fink, Ewald H.
LIF study of the b\(^{1}\)\(\Sigma\)\(^{+}\)(b0\(^{+}\)) ↔ X\(^{3}\)\(\Sigma\)\(^{-}\)(X\(_{1}\)0\(^{+}\),X\(_{2}\)1) transitions of SbH and SbD
Journal of Molecular Spectroscopy, 191 (1) :199-205
1998
Herausgeber: Academic Press

762.

Shestakov, Oleg; Gielen, R.; Pravilov, A. M.; Setzer, Klaus-Dieter; Fink, Ewald H.
LIF study of the b1Σ+(b0+) ↔ X3Σ-(X10+,X21) transitions of SbH and SbD
Journal of Molecular Spectroscopy, 191 (1) :199-205
1998
Herausgeber: Academic Press

761.

Bartel, A.
MultiROW within P-Star. A Feasibility Study
Unclassified NatLab Report No. 1998/824
Herausgeber: Philips Electronics
1998

760.

Gilg, A
Numerical circuit simulation Grund, F, s Borchardt, J Gunther, M, s Gilg, A
Surveys on Mathematics for Industry, 8 (3) :165--170
1998
Herausgeber: Wien; New York: Springer-Verlag, 1991-c2005.

759.

Le Tallec, P; Perlat, JP; Struckmeier, J
Numerical modeling of gas flows in the transition between rarefied and continuum regimes
Numerical Flow Simulation I: CNRS-DFG Collaborative Research Programme, Results 1996--1998 :222--241
1998
Herausgeber: Springer Berlin Heidelberg

758.

Wöhrle, D.; Tausch, Michael W.; Stohrer, W.-D.
PHOTOCHEMIE - Konzepte, Methoden, Experimente
Herausgeber: Wiley-VCH, Weinheim
1998

757.

Schmidt, Sven; Benter, Thorsten; Schindler, Ralph N.
Photodissociation dynamcis of ClO radicals in the range (237<λ<270) nm and at 205 nm and the velocity distribution of O(1D) atoms
Chemical Physics Letters, 282 (3-4) :292-298
1998

756.

Schmidt, Sven; Benter, Thorsten; Schindler, Ralph N.
Photodissociation dynamcis of ClO radicals in the range (237
Chemical Physics Letters, 282 (3-4) :292-298
1998

755.

Schmidt, Sven; Benter, Thorsten; Schindler, Ralph N.
Photodissociation dynamcis of ClO radicals in the range (237
Chemical Physics Letters, 282 (3-4) :292-298
1998

754.

Günther, Michael
Simulating digital circuits numerically - a charge-oriented ROW approach
Numerische Mathematik, 79 (2) :203–212
1998
Herausgeber: Springer New York

753.

G\"unther, Michael
Simulating digital circuits numerically -- a charge-oriented {ROW} approach
Numer.~Math., 79 :203--212
1998

752.

Günther, Michael
Simulating digital circuits numerically--a charge-oriented ROW approach
Numerische Mathematik, 79 (2) :203--212
1998
Herausgeber: Springer-Verlag

751.

Tausch, Michael W.
Sinn(e) der Fachdidaktik
{CHEMKON}, 5 (4) :173--173
1998
Herausgeber: Wiley

750.

Becker, Karl Heinz; Kleffmann, Jörg; Negri, R. Martin; Wiesen, Peter
Solubility of nitrous acid (HONO) in ammonium sulfate solutions
Journal of the Chemical Society - Faraday Transactions, 94 (11) :1583-1586
1998
Herausgeber: The Royal Society of Chemistry

749.

Becker, Karl Heinz; Kleffmann, Jörg; Negri, R. Martin; Wiesen, Peter
Solubility of nitrous acid (HONO) in ammonium sulfate solutions
Journal of the Chemical Society - Faraday Transactions, 94 (11) :1583-1586
1998
Herausgeber: The Royal Society of Chemistry

748.

Becker, Karl Heinz; Kleffmann, Jörg; Negri, R. Martin; Wiesen, Peter
Solubility of nitrous acid (HONO) in ammonium sulfate solutions
Journal of the Chemical Society - Faraday Transactions, 94 (11) :1583-1586
1998
Herausgeber: The Royal Society of Chemistry

747.

[german] Tausch, Michael W.; Grolmuss, A.; Woock, M.
Vom Lichtquant zum Sehreiz
Praxis der Naturwissenschaften (Physik), 47 (5) :26
1998
1997

746.

Arnold, A.; Ehrhardt, M.
A New Discrete Transparent Boundary Condition for Standard and Wide Angle 'Parabolic' Equations in Underwater Acoustics
Proceedings of the Third International Conference on Theoretical and Computational Acoustics, July 14-18, 1997, Newark, New Jersey, USA, Seite 623-635
1997

745.

Ehrgott, Matthias; Hamacher, Horst W.; Klamroth, Kathrin; Nickel, Stefan; Schöbel, Anita; Wiecek, Margaret M.
A note on the equivalence of balance points and Pareto solutions in multiple objective programming
Journal of Optimization Theory and Applications, 92 :209-212
1997

744.

G{{\'o}}mez, P. C.; Jensen, Per
A potential energy surface for the electronic ground state of H\(_{2}\)Te derived from experiment
Journal of Molecular Spectroscopy, 185 (2) :282-289
1997
Herausgeber: Academic Press