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



2014

2805.

Jacobi, Hans Werner; Kleffmann, Jörg; Villena, Guillermo; Wiesen, Peter; King, Martin; France, James; Anastasio, Cort; Staebler, Ralf M.
Role of nitrite in the photochemical formation of radicals in the snow
Environmental Science and Technology, 48 (1) :165-172
2014

2804.

Jacobi, Hans Werner; Kleffmann, Jörg; Villena, Guillermo; Wiesen, Peter; King, Martin; France, James; Anastasio, Cort; Staebler, Ralf M.
Role of nitrite in the photochemical formation of radicals in the snow
Environmental Science and Technology, 48 (1) :165-172
2014

2803.

Jacobi, Hans Werner; Kleffmann, Jörg; Villena, Guillermo; Wiesen, Peter; King, Martin; France, James; Anastasio, Cort; Staebler, Ralf M.
Role of nitrite in the photochemical formation of radicals in the snow
Environmental Science and Technology, 48 (1) :165-172
2014

2802.

Underwood, Daniel S.; Yurchenko, Sergey N.; Tennyson, Jonathan; Jensen, Per
Rotational spectrum of SO\(_{3}\) and theoretical evidence for the formation of sixfold rotational energy-level clusters in its vibrational ground state
Journal of Chemical Physics, 140 (24) :244316
2014

2801.

Underwood, Daniel S.; Yurchenko, Sergey N.; Tennyson, Jonathan; Jensen, Per
Rotational spectrum of SO\(_{3}\) and theoretical evidence for the formation of sixfold rotational energy-level clusters in its vibrational ground state
Journal of Chemical Physics, 140 (24) :244316
2014

2800.

Underwood, Daniel S.; Yurchenko, Sergey N.; Tennyson, Jonathan; Jensen, Per
Rotational spectrum of SO3 and theoretical evidence for the formation of sixfold rotational energy-level clusters in its vibrational ground state
Journal of Chemical Physics, 140 (24) :244316
2014

2799.

Ostoji{{\'c}}, B.; Jensen, Per; Schwerdtfeger, Peter; Bunker, P.R.
Singlet-triplet interaction in Group 2 M\(_{2}\)O hypermetallic oxides
Journal of Molecular Spectroscopy, 301 :20-24
2014
Herausgeber: Academic Press

2798.

Ostoji{{\'c}}, B.; Jensen, Per; Schwerdtfeger, Peter; Bunker, P.R.
Singlet-triplet interaction in Group 2 M\(_{2}\)O hypermetallic oxides
Journal of Molecular Spectroscopy, 301 :20-24
2014
Herausgeber: Academic Press

2797.

Ostojić, B.; Jensen, Per; Schwerdtfeger, Peter; Bunker, P.R.
Singlet-triplet interaction in Group 2 M2O hypermetallic oxides
Journal of Molecular Spectroscopy, 301 :20-24
2014
Herausgeber: Academic Press

2796.

Bučková, Z.; Ehrhardt, M.
Splitting Methods on Special Meshes
ECMI Newsletter 56, Seite 71--72
2014

2795.

Glück, Jochen
Square roots and continuity in strictly linearly ordered semigroups on real intervals
Semigroup Forum, 89 (3) :491--500
2014

2794.

Augner, Björn; Jacob, Birgit
Stability and stabilization of infinite-dimensional linear port-{H}amiltonian systems
Evol. Equ. Control Theory, 3 (2) :207--229
2014

2793.

Augner, Björn; Jacob, Birgit
Stability and stabilization of infinite-dimensional linear port-Hamiltonian systems
Evol. Equ. Control Theory, 3 (2) :207--229
2014

2792.

Bátkai, András; Csomós, Petra; Engel, Klaus-Jochen; Farkas, Bálint
Stability for Lie--Trotter products for some operator matrix semigroups
Proceedings in Applied Mathematics and Mechanics, 14 :995-998
2014

2791.

Ifang, Stefanie; Gallus, Michael; Liedtke, S.; Kurtenbach, Ralf; Wiesen, Peter; Kleffmann, Jörg
Standardization methods for testing photo-catalytic air remediation materials: Problems and solution
Atmospheric Environment, 91 :154-161
2014
Herausgeber: Pergamon

2790.

Ifang, Stefanie; Gallus, Michael; Liedtke, S.; Kurtenbach, Ralf; Wiesen, Peter; Kleffmann, Jörg
Standardization methods for testing photo-catalytic air remediation materials: Problems and solution
Atmospheric Environment, 91 :154-161
2014
Herausgeber: Pergamon

2789.

Ifang, Stefanie; Gallus, Michael; Liedtke, S.; Kurtenbach, Ralf; Wiesen, Peter; Kleffmann, Jörg
Standardization methods for testing photo-catalytic air remediation materials: Problems and solution
Atmospheric Environment, 91 :154-161
2014
Herausgeber: Pergamon

2788.

Bučková, Z.; Silva, J. P. Campos Moreira; Ehrhardt, M.; Günther, M.; Maten, E. J. W.
STRIKE: Novel Methods in Computational Finance - A European mathematical research training network
ECMI Newsletter 55, Seite 9–11
2014

2787.

Bučková, Z.; Silva, J. P. Campos Moreira; Ehrhardt, M.; Günther, M.; Maten, E. J. W.
STRIKE: Novel Methods in Computational Finance - A European mathematical research training network
ECMI Newsletter 55, Seite 9-11
2014

2786.

Bučková, Z.; Silva, J. P. Campos Moreira; Ehrhardt, M.; Günther, M.; Maten, E. J. W.
STRIKE: Novel Methods in Computational Finance - A European mathematical research training network
ECMI Newsletter 55, Seite 9–11
2014

2785.

Bučková, Z.; Silva, J. P. Campos Moreira; Ehrhardt, M.; Günther, M.; Maten, E. J. W.
STRIKE: Novel Methods in Computational Finance - A European mathematical research training network
ECMI Newsletter 55, Seite 9–11
2014

2784.

Tausch, Michael W.
Struktur-Eigenschaften - ein Basiskonzept für den Chemieunterricht
Praxis der Naturwissenschaften - Chemie in der Schule, 63 (2) :4
2014

2783.

Albrecht, Sascha; Klopotowski, Sebastian; Derpmann, Valerie; Klee, Sonja; Brockmann, Klaus Josef; Stroh, Fred; Benter, Thorsten
Studies of the mechanism of the cluster formation in a thermally sampling atmospheric pressure ionization mass spectrometer
Review of Scientific Instruments, 85 (1) :014102
2014

2782.

Albrecht, Sascha; Klopotowski, Sebastian; Derpmann, Valerie; Klee, Sonja; Brockmann, Klaus Josef; Stroh, Fred; Benter, Thorsten
Studies of the mechanism of the cluster formation in a thermally sampling atmospheric pressure ionization mass spectrometer
Review of Scientific Instruments, 85 (1) :014102
2014

2781.

Albrecht, Sascha; Klopotowski, Sebastian; Derpmann, Valerie; Klee, Sonja; Brockmann, Klaus Josef; Stroh, Fred; Benter, Thorsten
Studies of the mechanism of the cluster formation in a thermally sampling atmospheric pressure ionization mass spectrometer
Review of Scientific Instruments, 85 (1) :014102
2014