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
- 1999
868.
Osmann, Gerald; Bunker, Philip R.; Kraemer, Wolfgang P.; Jensen, Per
Coulomb explosion imaging and the CH\(_{2}\)\(^{+}\) molecule
Chemical Physics Letters, 309 (3-4) :299-306
1999867.
Osmann, Gerald; Bunker, Philip R.; Kraemer, Wolfgang P.; Jensen, Per
Coulomb explosion imaging and the CH\(_{2}\)\(^{+}\) molecule
Chemical Physics Letters, 309 (3-4) :299-306
1999866.
Osmann, Gerald; Bunker, Philip R.; Kraemer, Wolfgang P.; Jensen, Per
Coulomb explosion imaging and the CH2+ molecule
Chemical Physics Letters, 309 (3-4) :299-306
1999865.
Korn, Silke; Eisel, Christian; Tausch, Michael W.
Das leuchtende Labor
{CHEMKON}, 6 (3) :142--142
1999
Herausgeber: Wiley864.
Tyuterev, Vladimir G.; Tashkun, Sergey A.; Jensen, Per; Barbe, Alain; Cours, T.
Determination of the Effective Ground State Potential Energy Function of Ozone from High-Resolution Infrared Spectra
Journal of Molecular Spectroscopy, 198 (1) :57-76
1999863.
Tyuterev, Vladimir G.; Tashkun, Sergey A.; Jensen, Per; Barbe, Alain; Cours, T.
Determination of the Effective Ground State Potential Energy Function of Ozone from High-Resolution Infrared Spectra
Journal of Molecular Spectroscopy, 198 (1) :57-76
1999862.
Tyuterev, Vladimir G.; Tashkun, Sergey A.; Jensen, Per; Barbe, Alain; Cours, T.
Determination of the Effective Ground State Potential Energy Function of Ozone from High-Resolution Infrared Spectra
Journal of Molecular Spectroscopy, 198 (1) :57-76
1999861.
Ehrhardt, Matthias
Discrete transparent boundary conditions for general Schrödinger-type equations
VLSI Design, 9 (4) :325–338
1999
Herausgeber: Hindawi Publishing860.
Discrete transparent boundary conditions for general Schrödinger-type equations
Computer Physics Communications, 121 (4) :598--598
1999
Herausgeber: Hindawi859.
[german] Tausch, Michael W.; Grolmuss, A.
Ein low-cost Selbstbau-Spektroskop
Praxis der Naturwissenschaften (Chemie), 48 (7) :36
1999858.
Zwart, Hans; Jacob, Birgit
Equivalent conditions for stabilizability of infinite-dimensional systems with admissible control operators
SIAM J. Control Optim., 37 (5) :1419--1455
1999857.
Chudej, Kurt; Günther, Michael
Global state space approach for the efficient numerical solution of state-constrained trajectory optimization problems
Journal of optimization theory and applications, 103 :75--93
1999
Herausgeber: Kluwer Academic Publishers-Plenum Publishers856.
Kleffmann, Jörg; Becker, Karl Heinz; Lackhoff, Marion; Wiesen, Peter
Heterogeneous conversion of NO\(_{2}\) on carbonaceous surfaces
Physical Chemistry Chemical Physics, 1 (24) :5443-5450
1999
Herausgeber: The Royal Society of Chemistry855.
Kleffmann, Jörg; Becker, Karl Heinz; Lackhoff, Marion; Wiesen, Peter
Heterogeneous conversion of NO\(_{2}\) on carbonaceous surfaces
Physical Chemistry Chemical Physics, 1 (24) :5443-5450
1999
Herausgeber: The Royal Society of Chemistry854.
Kleffmann, Jörg; Becker, Karl Heinz; Lackhoff, Marion; Wiesen, Peter
Heterogeneous conversion of NO2 on carbonaceous surfaces
Physical Chemistry Chemical Physics, 1 (24) :5443-5450
1999
Herausgeber: The Royal Society of Chemistry853.
Setzer, Klaus-Dieter; Fink, Ewald H.; Ramsay, D. A.
High-Resolution Fourier-Transform Study of the b\(^{1}\)\(\Sigma\)\(^{+}\) → X\(^{3}\)\(\Sigma\)\(^{-}\) and a\(^{1}\)\(\Delta\) → X\(^{3}\)\(\Sigma\)\(^{-}\) Transitions of SO
Journal of Molecular Spectroscopy, 198 (1) :163-174
1999
Herausgeber: Academic Press852.
Setzer, Klaus-Dieter; Fink, Ewald H.; Ramsay, D. A.
High-Resolution Fourier-Transform Study of the b\(^{1}\)\(\Sigma\)\(^{+}\) → X\(^{3}\)\(\Sigma\)\(^{-}\) and a\(^{1}\)\(\Delta\) → X\(^{3}\)\(\Sigma\)\(^{-}\) Transitions of SO
Journal of Molecular Spectroscopy, 198 (1) :163-174
1999
Herausgeber: Academic Press851.
Setzer, Klaus-Dieter; Fink, Ewald H.; Ramsay, D. A.
High-Resolution Fourier-Transform Study of the b1Σ+ → X3Σ- and a1Δ → X3Σ- Transitions of SO
Journal of Molecular Spectroscopy, 198 (1) :163-174
1999
Herausgeber: Academic Press850.
Gänsheimer, S; Schilling, A
Improved staging of prostate cancer using a new tumorscore
Aktuelle Urologie, 30 (1) :20--26
1999
Herausgeber: GEORG THIEME VERLAG KG RUDIGERSTR 14, D-70469 STUTTGART, GERMANY849.
Becker, Karl Heinz; Geiger, Harald; Schmidt, Frank; Wiesen, Peter
Kinetic investigation of NCO radicals reacting with selected hydrocarbons
Physical Chemistry Chemical Physics, 1 (23) :5305-5309
1999848.
Becker, Karl Heinz; Geiger, Harald; Schmidt, Frank; Wiesen, Peter
Kinetic investigation of NCO radicals reacting with selected hydrocarbons
Physical Chemistry Chemical Physics, 1 (23) :5305-5309
1999847.
Becker, Karl Heinz; Geiger, Harald; Schmidt, Frank; Wiesen, Peter
Kinetic investigation of NCO radicals reacting with selected hydrocarbons
Physical Chemistry Chemical Physics, 1 (23) :5305-5309
1999846.
Becker, Karl Heinz; Dinis, Carlos M.; Geiger, Harald; Wiesen, Peter
Kinetics of the reaction of OH with di-n-butoxymethane (DBM) in the range 298-710 K
Chemical Physics Letters, 300 (3-4) :460-464
1999845.
Becker, Karl Heinz; Dinis, Carlos M.; Geiger, Harald; Wiesen, Peter
Kinetics of the reaction of OH with di-n-butoxymethane (DBM) in the range 298-710 K
Chemical Physics Letters, 300 (3-4) :460-464
1999844.
Becker, Karl Heinz; Dinis, Carlos M.; Geiger, Harald; Wiesen, Peter
Kinetics of the reaction of OH with di-n-butoxymethane (DBM) in the range 298-710 K
Chemical Physics Letters, 300 (3-4) :460-464
1999