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



1997

693.

Tausch, Michael W.
Simulation von chemischen Gleichgewichten
Computer + Unterricht, 26 :35
1997

692.

Bludsky, Ota; Jensen, Per
The calculation of the bound and quasibound vibrational states for ozone in its \(^{1}\)B\(_{2}\) electronic state
Molecular Physics, 91 (4) :653-662
1997

691.

Bludsky, Ota; Jensen, Per
The calculation of the bound and quasibound vibrational states for ozone in its \(^{1}\)B\(_{2}\) electronic state
Molecular Physics, 91 (4) :653-662
1997

690.

Bludsky, Ota; Jensen, Per
The calculation of the bound and quasibound vibrational states for ozone in its 1B2 electronic state
Molecular Physics, 91 (4) :653-662
1997

689.

Kozin, Igor N.; Jensen, Per
The Effects of Nonzero Total Electron Spin in the X\verb=~= \(^{3}\)B\(_{1}\) State of Methylene CH\(_{2}\)
Journal of Molecular Spectroscopy, 183 (2) :398-406
1997
Herausgeber: Academic Press

688.

Kozin, Igor N.; Jensen, Per
The Effects of Nonzero Total Electron Spin in the X\verb=~= \(^{3}\)B\(_{1}\) State of Methylene CH\(_{2}\)
Journal of Molecular Spectroscopy, 183 (2) :398-406
1997
Herausgeber: Academic Press

687.

Kozin, Igor N.; Jensen, Per
The Effects of Nonzero Total Electron Spin in the X~ 3B1 State of Methylene CH2
Journal of Molecular Spectroscopy, 183 (2) :398-406
1997
Herausgeber: Academic Press

686.

Klamroth, Kathrin; Mengersen, Ingrid
The Ramsey number r(K_1,3,C_4,K_4)
Utilitas Mathematica, 52 :65-81
1997

685.

Jensen, Per; Sauer, Stephan P. A.
Theoretical calculations of the hyperfine structure in the spectra of H\(_{3}\)\(^{+}\) and its deuterated isotopomers
Molecular Physics, 91 (2) :319-332
1997

684.

Jensen, Per; Sauer, Stephan P. A.
Theoretical calculations of the hyperfine structure in the spectra of H\(_{3}\)\(^{+}\) and its deuterated isotopomers
Molecular Physics, 91 (2) :319-332
1997

683.

Jensen, Per; Sauer, Stephan P. A.
Theoretical calculations of the hyperfine structure in the spectra of H3+ and its deuterated isotopomers
Molecular Physics, 91 (2) :319-332
1997

682.

Jensen, Per
Theoretical Rotation-Vibration Energies of X\verb=~=\(^{3}\)B\(_{1}\) NH\(_{2}\)\(^{+}\)
Journal of Molecular Spectroscopy, 181 (1) :207-214
1997
Herausgeber: Academic Press

681.

Jensen, Per
Theoretical Rotation-Vibration Energies of X\verb=~=\(^{3}\)B\(_{1}\) NH\(_{2}\)\(^{+}\)
Journal of Molecular Spectroscopy, 181 (1) :207-214
1997
Herausgeber: Academic Press

680.

Jensen, Per
Theoretical Rotation-Vibration Energies of X~3B1 NH2+
Journal of Molecular Spectroscopy, 181 (1) :207-214
1997
Herausgeber: Academic Press
1996

679.

Kukui, A.; Kirchner, Ulf; Benter, Thorsten; Schindler, Ralph N.
A Gaskinetic Investigation of HOBr Reactions with Cl(\(^{2}\)P), O(\(^{3}\)P) and OH(\(^{2}\)\(\Pi\)). The Reaction of BrCl with OH(\(^{2}\)\(\Pi\))
Berichte der Bunsengesellschaft für physikalische Chemie, 100 (4) :455-461
1996

678.

Kukui, A.; Kirchner, Ulf; Benter, Thorsten; Schindler, Ralph N.
A Gaskinetic Investigation of HOBr Reactions with Cl(\(^{2}\)P), O(\(^{3}\)P) and OH(\(^{2}\)\(\Pi\)). The Reaction of BrCl with OH(\(^{2}\)\(\Pi\))
Berichte der Bunsengesellschaft für physikalische Chemie, 100 (4) :455-461
1996

677.

Kukui, A.; Kirchner, Ulf; Benter, Thorsten; Schindler, Ralph N.
A Gaskinetic Investigation of HOBr Reactions with Cl(2P), O(3P) and OH(2Π). The Reaction of BrCl with OH(2Π)
Berichte der Bunsengesellschaft für physikalische Chemie, 100 (4) :455-461
1996

676.

Gu, Jian-ping; Buenker, Robert J.; Hirsch, Gerhard; Jensen, Per; Bunker, Philip R.
An ab Initio Calculation of BH\(_{2}\)\(^{-}\) Rovibronic Energies: A Very Small Singlet-Triplet Splitting
Journal of Molecular Spectroscopy, 178 (2) :172-183
1996
Herausgeber: Academic Press

675.

Gu, Jian-ping; Buenker, Robert J.; Hirsch, Gerhard; Jensen, Per; Bunker, Philip R.
An ab Initio Calculation of BH\(_{2}\)\(^{-}\) Rovibronic Energies: A Very Small Singlet-Triplet Splitting
Journal of Molecular Spectroscopy, 178 (2) :172-183
1996
Herausgeber: Academic Press

674.

Gu, Jian-ping; Buenker, Robert J.; Hirsch, Gerhard; Jensen, Per; Bunker, Philip R.
An ab Initio Calculation of BH2- Rovibronic Energies: A Very Small Singlet-Triplet Splitting
Journal of Molecular Spectroscopy, 178 (2) :172-183
1996
Herausgeber: Academic Press

673.

Kolbuszewski, M.; Bunker, Philip R.; Kraemer, Wolfgang P.; Osmann, Gerald; Jensen, Per
An ab initio calculation of the rovibronic energies of the BH\(_{2}\) molecule
Molecular Physics, 88 (1) :105-124
1996

672.

Kolbuszewski, M.; Bunker, Philip R.; Kraemer, Wolfgang P.; Osmann, Gerald; Jensen, Per
An ab initio calculation of the rovibronic energies of the BH\(_{2}\) molecule
Molecular Physics, 88 (1) :105-124
1996

671.

Kolbuszewski, M.; Bunker, Philip R.; Kraemer, Wolfgang P.; Osmann, Gerald; Jensen, Per
An ab initio calculation of the rovibronic energies of the BH2 molecule
Molecular Physics, 88 (1) :105-124
1996

670.

Jacob, Birgit
Destabilization of infinite-dimensional time-varying systems via dynamical output feedback
, Recent developments in operator theory and its applications (<prt>W</prt>innipeg, <prt>MB</prt>, 1994) Band 87 aus Oper. Theory Adv. Appl.
Seite 193--206
Herausgeber: Birkhäuser, Basel
1996
193--206

669.

Wiesen, Peter; Kleffmann, Jörg; Kurtenbach, Ralf; Becker, Karl Heinz
Emission of nitrous oxide and methane from aero engines: Monitoring by tunable diode laser spectroscopy
Infrared Physics and Technology, 37 (1) :75-81
1996
Herausgeber: Pergamon