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



2001

993.

G\"unther, Michael; Hoschek, M.; Weiner, R.
ROW methods adapted to a cheap Jacobian}
APNUM, 37 :231-240
2001

992.

Günther, Michael; Hoschek, Markus
ROW-type Integration Methods for Circuit Simulation Packages
:448-455
2001
Herausgeber: B.G. Teubner, Stuttgart

991.

Hecht, Dirk; Günther, Michael; Rienen, Ursula
Scientific Computing in Electrical Engineering: Proceedings
Herausgeber: Springer
2001

990.


Scientific Computing in Electrical Engineering: Proceedings of the 3rd International Workshop, 20-23 August 2000, Warnemünde, Germany
In Rienen, Ursula and Günther, Michael and Hecht, Dirk, Editor aus Lecture Notes in Computational Science and Engineering
Herausgeber: Springer Berlin Heidelberg
2001

ISBN: 978-3-540-42173-3

989.

Van Rienen, Ursula; Günther, Michael; Hecht, Dirk
Scientific Computing in Electrical Engineering: Proceedings of the 3rd International Workshop, August 20--23, 2000, Warnemünde, Germany
2001

988.

Rienen, Ursula van; Günther, Michael; Hecht, Dirk
Scientific computing in electrical engineering: proceedings of the 3rd International Workshop, August 20-23, 2000, Warnemünde, Germany
(No Title)
2001

987.


Scientific Computing in Electrical Engineering. Proceedings of the 3rd International Workshop, 20-23 August 2000, Warnem\"unde, Germany
In {van Rienen}, U. and G\"unther, M. and Hecht, D., Editor aus Lecture Notes in Computational Science and Engineering
Herausgeber: Springer-Verlag, Berlin
2001

986.

Tausch, Michael W.
Sclüsselexperimente - Kreuzungen, Brücken und Pässe im Chemieunterricht
Praxis der Naturwissenschaften - Chemie in der Schule, 50 (3) :1
2001

985.

McKeachie, J. Ryan; Veer, Wytze E.; Short, Luke Chandler; Garnica, R. M.; Appel, Matthew F.; Benter, Thorsten
Selective ultra-trace detection of NO and NO\(_{2}\) in complex gas mixtures using broad-bandwidth REMPI mass spectrometry
Analyst, 126 (8) :1221-1228
2001

984.

McKeachie, J. Ryan; Veer, Wytze E.; Short, Luke Chandler; Garnica, R. M.; Appel, Matthew F.; Benter, Thorsten
Selective ultra-trace detection of NO and NO\(_{2}\) in complex gas mixtures using broad-bandwidth REMPI mass spectrometry
Analyst, 126 (8) :1221-1228
2001

983.

McKeachie, J. Ryan; van der Veer, Wytze E.; Short, Luke Chandler; Garnica, R. M.; Appel, Matthew F.; Benter, Thorsten
Selective ultra-trace detection of NO and NO2 in complex gas mixtures using broad-bandwidth REMPI mass spectrometry
Analyst, 126 (8) :1221-1228
2001

982.

Bach, Thorsten; Kirsch, Stefan
Synthesis of 6-Substituted 4-Hydroxy-2-pyrones from Aldehydes by Addition of an Acetoacetate Equivalent, Dess-Martin Oxidation and Subsequent Cyclization
Synlett, 2001 (12) :1974–1976
2001
ISSN: 0936-5214, 1437-2096

981.

Jacob, Birgit; Partington, Jonathan R.
The Weiss conjecture on admissibility of observation operators for contraction semigroups
Integral Equations Operator Theory, 40 (2) :231--243
2001

980.

Bartel, Andreas; Günther, Michael
The developments in multirating for coupled systems
ZAMM-Zeitschrift fur Angewandte Mathematik und Mechanik, 81 (S3) :739–742
2001

979.

Bartel, A.; G\"unther, Michael
The developments in multirating for coupled systems
Z. f. Angew. Math. u. Mech., 81 (3) :S739--S742
2001

978.

Yurchenko, Sergey N.; Jensen, Per; Li, Yan; Buenker, Robert J.; Bunker, Philip R.
The near ultraviolet band system of singlet methylene
Journal of Molecular Spectroscopy, 208 (1) :136-143
2001

977.

Yurchenko, Sergey N.; Jensen, Per; Li, Yan; Buenker, Robert J.; Bunker, Philip R.
The near ultraviolet band system of singlet methylene
Journal of Molecular Spectroscopy, 208 (1) :136-143
2001

976.

Yurchenko, Sergey N.; Jensen, Per; Li, Yan; Buenker, Robert J.; Bunker, Philip R.
The near ultraviolet band system of singlet methylene
Journal of Molecular Spectroscopy, 208 (1) :136-143
2001

975.

Tausch, Michael W.; Wachtendonk, M.
UNTERRICHTSPRAXIS S II, Band 1 ''Protolysegleichgewichte''
Herausgeber: Aulis Verlag Deubner, Köln
2001

974.

Tausch, Michael W.; Woock, M.; Twellmann, M.
Vom Erdöl zum Kaugummi - ein Kontext und seine Facetten
Praxis der Naturwissenschaften - Chemie in der Schule, 50 (1) :11
2001

973.

[german] Bohrmann, Claudia; Twellmann, M.; Tausch, Michael W.
Vom galvanischen Element zur Solarzelle
Naturwissenschaften im Unterricht Chemie, 66 (6) :12–16
2001

972.

Jacob, Birgit
Zeros of Fredholm operator valued H^p-functions
Math. Nachr., 227 :81--97
2001
2000

971.

Günther, Michael
A joint DAE/PDE model for interconnected electrical networks
Mathematical and Computer Modelling of Dynamical Systems, 6 :114–128
2000
Herausgeber: Taylor & Francis

970.


A joint DAE/PDE model for interconnected electrical networks
Mathematical and Computer Modelling of Dynamical Systems, 6 (2) :114--128
2000
Herausgeber: Taylor \& Francis

969.

Garnica, R. M.; Appel, Matthew F.; Eagan, L.; McKeachie, J. Ryan; Benter, Thorsten
A REMPI method for the ultrasensitive detection of NO and NO\(_{2}\) using atmospheric pressure laser ionization mass spectrometry
Analytical Chemistry, 72 (22) :5639-5646
2000