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



1987

193.

Bunker, Philip R.; Jensen, Per; Kraemer, Wolfgang P.; Beardsworth, R.
Calculated rotation-vibration energies for HOC\(^{+}\)
Journal of Molecular Spectroscopy, 121 (2) :450-452
1987

192.

Bunker, Philip R.; Jensen, Per; Kraemer, Wolfgang P.; Beardsworth, R.
Calculated rotation-vibration energies for HOC+
Journal of Molecular Spectroscopy, 121 (2) :450-452
1987

191.

Fink, Ewald H.; Kruse, H.; Ramsay, D. A.; Wang, Ding Chang
High resolution studies of the b\(^{1}\)\(\Sigma\)\(^{+}\) - X\(^{3}\)\(\Sigma\) emission system of SeS
Molecular Physics, 60 (2) :277-290
1987

190.

Fink, Ewald H.; Kruse, H.; Ramsay, D. A.; Wang, Ding Chang
High resolution studies of the b\(^{1}\)\(\Sigma\)\(^{+}\) - X\(^{3}\)\(\Sigma\) emission system of SeS
Molecular Physics, 60 (2) :277-290
1987

189.

Fink, Ewald H.; Kruse, H.; Ramsay, D. A.; Wang, Ding Chang
High resolution studies of the b1Σ+ - X3Σ emission system of SeS
Molecular Physics, 60 (2) :277-290
1987

188.

Fink, Ewald H.; Setzer, Klaus-Dieter; Ramsay, D. A.; Vervloet, M.
High-resolution study of the emission system of \(^{80}\)SeO
Journal of Molecular Spectroscopy, 125 (1) :66-75
1987

187.

Fink, Ewald H.; Setzer, Klaus-Dieter; Ramsay, D. A.; Vervloet, M.
High-resolution study of the emission system of \(^{80}\)SeO
Journal of Molecular Spectroscopy, 125 (1) :66-75
1987

186.

Fink, Ewald H.; Setzer, Klaus-Dieter; Ramsay, D. A.; Vervloet, M.
High-resolution study of the emission system of 80SeO
Journal of Molecular Spectroscopy, 125 (1) :66-75
1987

185.

Franik, R.; Tausch, Michael W.; Autorenteam
KLAUSUR- UND ABITURTRAINING CHEMIE, Aufgabensammlung mit Lösungen und weiterführenden Informationen für die S II, 7 Bände
Herausgeber: Aulis Deubner\&Co KG, Köln
1987

184.

[german] Tausch, Michael W.
Photochemische cis-trans Isomerisierungen
Der mathematische und naturwissenschaftliche Unterricht (MNU), 40 :92
1987

183.

Tausch, Michael W.; Fischer, W.; Glöckner, W.; Köhler-Degner, M.; Nöding, S.; Wolf, H.
STOFF UND FORMEL - Chemiebuch für Gymnasien, S I, 291 Seiten
Herausgeber: C. C. Buchner, Bamberg
1987

182.

Tausch, Michael W.; Fischer, W.; Glöckner, W.; Köhler-Degner, M.; Nöding, S.; Wolf, H.
STOFF UND FORMEL - Chemiebuch für Gymnasien; Ausgabe NRW, S I, 291 Seiten
Herausgeber: C. C. Buchner, Bamberg
1987

181.

Tausch, Michael W.; Fischer, W.; Glöckner, W.; Köhler-Degner, M.; Nöding, S.; Wolf, H.
STOFF UND FORMEL - Lehrerbände mit didaktischen Hinweisen und Lösungen der Aufgaben zu STOFF UND FORMEL - Chemiebuch für Gymnasien und Ausgabe NRW
Herausgeber: C. C. Buchner, Bamberg
1987
1986

180.

Maten, E. J. W.
Splitting methods for fourth order parabolic partial differential equations
Computing, 37 (4) :335--350
Dezember 1986
Herausgeber: Springer Science and Business Media {LLC}

179.

Maten, E. Jan W.; Sleijpen, Gerard L. G.
A convergence analysis of Hopscotch methods for fourth order parabolic equations
Numerische Mathematik, 49 (2-3) :275--290
März 1986
Herausgeber: Springer Science and Business Media {LLC}

178.

Jensen, Per; Spirko, Vladim{í}r
A new Morse-oscillator based Hamiltonian for H\(_{3}\)\(^{+}\): Calculation of line strengths
Journal of Molecular Spectroscopy, 118 (1) :208-231
1986

177.

Jensen, Per; Spirko, Vladim{í}r
A new Morse-oscillator based Hamiltonian for H\(_{3}\)\(^{+}\): Calculation of line strengths
Journal of Molecular Spectroscopy, 118 (1) :208-231
1986

176.

Jensen, Per; Spirko, Vladim{í}r; Bunker, Philip R.
A new Morse-oscillator based Hamiltonian for H\(_{3}\)\(^{+}\): Extension to H\(_{2}\)D\(^{+}\) and D\(_{2}\)H\(^{+}\)
Journal of Molecular Spectroscopy, 115 (2) :269-293
1986

175.

Jensen, Per; Spirko, Vladim{í}r; Bunker, Philip R.
A new Morse-oscillator based Hamiltonian for H\(_{3}\)\(^{+}\): Extension to H\(_{2}\)D\(^{+}\) and D\(_{2}\)H\(^{+}\)
Journal of Molecular Spectroscopy, 115 (2) :269-293
1986

174.

Jensen, Per; Spirko, Vladimír
A new Morse-oscillator based Hamiltonian for H3+: Calculation of line strengths
Journal of Molecular Spectroscopy, 118 (1) :208-231
1986

173.

Jensen, Per; Spirko, Vladimír; Bunker, Philip R.
A new Morse-oscillator based Hamiltonian for H3+: Extension to H2D+ and D2H+
Journal of Molecular Spectroscopy, 115 (2) :269-293
1986

172.

Adams, Warren P; Sherali, Hanif D
A tight linearization and an algorithm for zero-one quadratic programming problems
Management Science, 32 (10) :1274--1290
1986
Herausgeber: INFORMS

171.

Beardsworth, R.; Bunker, Philip R.; Jensen, Per; Kraemer, Wolfgang P.
Ab initio rotation-vibration energies of HOC\(^{+}\) calculated using the nonrigid bender Hamiltonian
Journal of Molecular Spectroscopy, 118 (1) :40-49
1986

170.

Beardsworth, R.; Bunker, Philip R.; Jensen, Per; Kraemer, Wolfgang P.
Ab initio rotation-vibration energies of HOC\(^{+}\) calculated using the nonrigid bender Hamiltonian
Journal of Molecular Spectroscopy, 118 (1) :40-49
1986

169.

Beardsworth, R.; Bunker, Philip R.; Jensen, Per; Kraemer, Wolfgang P.
Ab initio rotation-vibration energies of HOC+ calculated using the nonrigid bender Hamiltonian
Journal of Molecular Spectroscopy, 118 (1) :40-49
1986