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
- 1995
568.
Wiesen, Peter; Kleffmann, Jörg; Kurtenbach, Ralf; Becker, Karl Heinz
Mechanistic study of the heterogeneous conversion of NO\(_{2}\) into HONO and N\(_{2}\)O on acid surfaces
Faraday Discussions, 100 (2) :121-127
1995567.
Wiesen, Peter; Kleffmann, Jörg; Kurtenbach, Ralf; Becker, Karl Heinz
Mechanistic study of the heterogeneous conversion of NO2 into HONO and N2O on acid surfaces
Faraday Discussions, 100 (2) :121-127
1995566.
Denk, Georg; Feldmann, Uwe; Günther, Michael
Modeling and simulating charge sensitive MOS circuits
1995565.
Bunker, Philip R.; Kolbuszewski, M.; Jensen, Per; Brumm, Martin; Anderson, M. A.; Barclay, W. L.; Ziurys, L. M.; Ni, Y.; Harris, David O.
New rovibrational data for MgOH and MgOD and the internuclear potential function of the ground electronic state
Chemical Physics Letters, 239 (4-6) :217-222
1995564.
Bunker, Philip R.; Kolbuszewski, M.; Jensen, Per; Brumm, Martin; Anderson, M. A.; Barclay, W. L.; Ziurys, L. M.; Ni, Y.; Harris, David O.
New rovibrational data for MgOH and MgOD and the internuclear potential function of the ground electronic state
Chemical Physics Letters, 239 (4-6) :217-222
1995563.
Bunker, Philip R.; Kolbuszewski, M.; Jensen, Per; Brumm, Martin; Anderson, M. A.; Barclay, W. L.; Ziurys, L. M.; Ni, Y.; Harris, David O.
New rovibrational data for MgOH and MgOD and the internuclear potential function of the ground electronic state
Chemical Physics Letters, 239 (4-6) :217-222
1995562.
Günther, Michael; Simeon, Bernd
Praktikum Wissenschaftliches Rechnen auf dem HRZ-Vektorparallelrechner VPP
Preprint (1785)
1995
Herausgeber: Technische Hochschule Darmstadt561.
Denk, Ceorg; Günther, Michael; Kahlert, Martin; Paffrath, Meinhard; Rentrop, Peter; Wever, Utz; Zheng, Q
Recent advances in electronic industry by numerical simulation
Preprint (1784)
1995
Herausgeber: Technische Hochschule Darmstadt560.
Heilmann, Margareta
Saturation of linear combinations of Baskakov-Durrmeyer-type operators
Applicable Analysis, 59 (1-4) :93-107
1995559.
Becker, Karl Heinz; Kurtenbach, Ralf; Schmidt, Frank; Wiesen, Peter
Temperature and pressure dependence of the NCO + C\(_{2}\)H\(_{2}\) reaction
Chemical Physics Letters, 235 (3-4) :230-234
1995558.
Becker, Karl Heinz; Kurtenbach, Ralf; Schmidt, Frank; Wiesen, Peter
Temperature and pressure dependence of the NCO + C\(_{2}\)H\(_{2}\) reaction
Chemical Physics Letters, 235 (3-4) :230-234
1995557.
Becker, Karl Heinz; Kurtenbach, Ralf; Schmidt, Frank; Wiesen, Peter
Temperature and pressure dependence of the NCO + C2H2 reaction
Chemical Physics Letters, 235 (3-4) :230-234
1995556.
G\"unther, Michael; Feldmann, U.
The {DAE}-index in electric circuit simulation
Mathematics and Computers in Simulation, 39 :573--582
1995555.
Günther, Michael; Feldmann, Uwe
The DAE-index in electric circuit simulation
Mathematics and Computers in Simulation, 39 (5) :573–582
1995
Herausgeber: Elsevier554.
Günther, Michael; Feldmann, Uwe
The DAE-index in electric circuit simulation
Mathematics and Computers in Simulation, 39 (5-6) :573--582
1995
Herausgeber: North-Holland553.
Shestakov, Oleg; Fink, Ewald H.
The Lowest Quartet States, a\(^{4}\)\(\Pi\) and b\(^{4}\)\(\Sigma\)\(^{-}\), of SbO
Journal of Molecular Spectroscopy, 172 (1) :215-224
1995
Herausgeber: Academic Press552.
Shestakov, Oleg; Fink, Ewald H.
The Lowest Quartet States, a\(^{4}\)\(\Pi\) and b\(^{4}\)\(\Sigma\)\(^{-}\), of SbO
Journal of Molecular Spectroscopy, 172 (1) :215-224
1995
Herausgeber: Academic Press551.
Shestakov, Oleg; Fink, Ewald H.
The Lowest Quartet States, a4Π and b4Σ-, of SbO
Journal of Molecular Spectroscopy, 172 (1) :215-224
1995
Herausgeber: Academic Press550.
Kolbuszewski, M.; Bunker, Philip R.; Jensen, Per
The Potential Energy Function of CS\(_{2}\) Derived from Rovibrational Data
Journal of Molecular Spectroscopy, 170 (1) :158-165
1995
Herausgeber: Academic Press549.
Kolbuszewski, M.; Bunker, Philip R.; Jensen, Per
The Potential Energy Function of CS\(_{2}\) Derived from Rovibrational Data
Journal of Molecular Spectroscopy, 170 (1) :158-165
1995
Herausgeber: Academic Press548.
Kolbuszewski, M.; Bunker, Philip R.; Jensen, Per
The Potential Energy Function of CS2 Derived from Rovibrational Data
Journal of Molecular Spectroscopy, 170 (1) :158-165
1995
Herausgeber: Academic Press547.
Denk, Georg; Feldmann, Uwe; Günther, Michael; Rentrop, Peter
Topics in electric circuit simulation
Preprint (1740)
1995
Herausgeber: Technische Hochschule Darmstadt546.
Benter, Thorsten; Feldmann, Ch R.; Kirchner, Ulf; Schmidt, M.; Schmidt, Sven; Schindler, Ralph N.
UV/VIS-absorption Spectra of HOBr and CH\(_{3}\)OBr; Br(\(^{2}\)P\(_{3/2}\)) Atom Yields in the Photolysis of HOBr
Berichte der Bunsengesellschaft für physikalische Chemie, 99 (9) :1144-1147
1995545.
Benter, Thorsten; Feldmann, Ch R.; Kirchner, Ulf; Schmidt, M.; Schmidt, Sven; Schindler, Ralph N.
UV/VIS-absorption Spectra of HOBr and CH\(_{3}\)OBr; Br(\(^{2}\)P\(_{3/2}\)) Atom Yields in the Photolysis of HOBr
Berichte der Bunsengesellschaft für physikalische Chemie, 99 (9) :1144-1147
1995544.
Benter, Thorsten; Feldmann, Ch R.; Kirchner, Ulf; Schmidt, M.; Schmidt, Sven; Schindler, Ralph N.
UV/VIS-absorption Spectra of HOBr and CH3OBr; Br(2P3/2) Atom Yields in the Photolysis of HOBr
Berichte der Bunsengesellschaft für physikalische Chemie, 99 (9) :1144-1147
1995