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
- 1981
30.
Tausch, Michael W.
Vorschlag für den Aufbau und die Bewertung einer Klausur zum Kurs ''Grundreaktionen in der organischen Chemie"
Praxis der Naturwissenschaften (Chemie), 30 :374
1981- 1980
29.
Winter, R.; Barnes, Ian; Fink, Ewald H.; Wildt, J{ü}rgen; Zabel, Friedhelm
b\(^{1}\)\(\Sigma\)\(^{+}\) → X\(^{3}\)\(\Sigma\)\(^{-}\) Emissions of SeO, SeS, and Se\(_{2}\) in the near infrared
Chemical Physics Letters, 73 (2) :297-303
198028.
Winter, R.; Barnes, Ian; Fink, Ewald H.; Wildt, J{ü}rgen; Zabel, Friedhelm
b\(^{1}\)\(\Sigma\)\(^{+}\) → X\(^{3}\)\(\Sigma\)\(^{-}\) Emissions of SeO, SeS, and Se\(_{2}\) in the near infrared
Chemical Physics Letters, 73 (2) :297-303
198027.
Winter, R.; Barnes, Ian; Fink, Ewald H.; Wildt, Jürgen; Zabel, Friedhelm
b1Σ+ → X3Σ- Emissions of SeO, SeS, and Se2 in the near infrared
Chemical Physics Letters, 73 (2) :297-303
198026.
Kauppinen, Jyrki; Jensen, Per; Brodersen, Svend
Determination of the B\(_{0}\) constant of C\(_{6}\)H\(_{6}\)
Journal of Molecular Spectroscopy, 83 (1) :161-174
198025.
Kauppinen, Jyrki; Jensen, Per; Brodersen, Svend
Determination of the B\(_{0}\) constant of C\(_{6}\)H\(_{6}\)
Journal of Molecular Spectroscopy, 83 (1) :161-174
198024.
Kauppinen, Jyrki; Jensen, Per; Brodersen, Svend
Determination of the B0 constant of C6H6
Journal of Molecular Spectroscopy, 83 (1) :161-174
1980- 1979
23.
Glaschick-Schimpf, I.; Leiss, A.; Monkhouse, Penelope B.; Schurath, Ulrich; Becker, Karl Heinz; Fink, Ewald H.
A kinetic study of the reactions of HO\(_{2}\)/DO\(_{2}\) radicals with nitric oxide using near-infrared chemiluminescence detection
Chemical Physics Letters, 67 (2-3) :318-323
197922.
Glaschick-Schimpf, I.; Leiss, A.; Monkhouse, Penelope B.; Schurath, Ulrich; Becker, Karl Heinz; Fink, Ewald H.
A kinetic study of the reactions of HO\(_{2}\)/DO\(_{2}\) radicals with nitric oxide using near-infrared chemiluminescence detection
Chemical Physics Letters, 67 (2-3) :318-323
197921.
Glaschick-Schimpf, I.; Leiss, A.; Monkhouse, Penelope B.; Schurath, Ulrich; Becker, Karl Heinz; Fink, Ewald H.
A kinetic study of the reactions of HO2/DO2 radicals with nitric oxide using near-infrared chemiluminescence detection
Chemical Physics Letters, 67 (2-3) :318-323
197920.
Tausch, Michael W.; C. Ha{ßs}, E.; J. Plath, P.
Beschreibung von Valenzisomerisierungen durch Strukturvariation auf vollständigen Graphen
Informal Communications in Mathematical Chemistry (MatCh), 7 :289
197919.
Barnes, Ian; Becker, Karl Heinz; Fink, Ewald H.
Chemiluminescence of SO(\(^{1}\)\(\Delta\)\(_{g}\),\(^{1}\)\(\Sigma\)\(_{g}\)\(^{+}\)) sensitized by O\(_{2}\)(\(^{1}\)\(\Delta\)\(_{g}\))
Chemical Physics Letters, 67 (2-3) :310-313
197918.
Barnes, Ian; Becker, Karl Heinz; Fink, Ewald H.
Chemiluminescence of SO(\(^{1}\)\(\Delta\)\(_{g}\),\(^{1}\)\(\Sigma\)\(_{g}\)\(^{+}\)) sensitized by O\(_{2}\)(\(^{1}\)\(\Delta\)\(_{g}\))
Chemical Physics Letters, 67 (2-3) :310-313
197917.
Barnes, Ian; Becker, Karl Heinz; Fink, Ewald H.
Chemiluminescence of SO(1Δg,1Σg+) sensitized by O2(1Δg)
Chemical Physics Letters, 67 (2-3) :310-313
197916.
Barnes, Ian; Becker, Karl Heinz; Fink, Ewald H.
Near-infrared emissions from the \(^{1}\)\(\Delta\)\(_{g}\) and \(^{1}\)\(\Sigma\)\(_{g}\)\(^{+}\) states of S\(_{2}\)
Chemical Physics Letters, 67 (2-3) :314-317
197915.
Barnes, Ian; Becker, Karl Heinz; Fink, Ewald H.
Near-infrared emissions from the \(^{1}\)\(\Delta\)\(_{g}\) and \(^{1}\)\(\Sigma\)\(_{g}\)\(^{+}\) states of S\(_{2}\)
Chemical Physics Letters, 67 (2-3) :314-317
197914.
Barnes, Ian; Becker, Karl Heinz; Fink, Ewald H.
Near-infrared emissions from the 1Δg and 1Σg+ states of S2
Chemical Physics Letters, 67 (2-3) :314-317
197913.
Tausch, Michael W.
Vorschlag für den Aufbau und die Bewertung einer Klausur zum Kurs ''Bindung und Struktur''
Praxis der Naturwissenschaften (Chemie), 28 :304
1979- 1978
12.
Tausch, Michael W.; C. Hass, E.; J. Plath, P.
Eine graphentheoretische Bezugsstruktur für die Eigenwertsumme konjugierter Kohlenwasserstoffe
Bremer Briefe zur Chemie, 2 (30)
197811.
Leiss, A.; Schurath, Ulrich; Becker, Karl Heinz; Fink, Ewald H.
Revised quenching rate constants for metastable oxygen molecules O\(_{2}\)(a\(^{1}\)\(\Delta\)\(_{g}\))
Journal of Photochemistry, 8 (2) :211-214
197810.
Leiss, A.; Schurath, Ulrich; Becker, Karl Heinz; Fink, Ewald H.
Revised quenching rate constants for metastable oxygen molecules O\(_{2}\)(a\(^{1}\)\(\Delta\)\(_{g}\))
Journal of Photochemistry, 8 (2) :211-214
19789.
Leiss, A.; Schurath, Ulrich; Becker, Karl Heinz; Fink, Ewald H.
Revised quenching rate constants for metastable oxygen molecules O2(a1Δg)
Journal of Photochemistry, 8 (2) :211-214
1978- 1977
8.
[german] Tausch, Michael W.; Elian, Mihai; Bucur, Aurora; Cior{{\^a}}nescu, Ecaterina
Über das photochemische Verhalten von zwei Tribenzo-(CH)12-Valenzisomeren
Chemische Berichte, 110 (5) :1744-1747
1977
Herausgeber: Wiley- 1974
7.
Mihail, R.; Tausch, Michael W.
Homogene Reaktionen in einem Rohrreaktor mit nicht-Newtonscher Strömung
The Chemical Engineering Journal, 7 (1) :53--60
1974
Herausgeber: Elsevier {BV}6.
Becker, Karl Heinz; Fink, Ewald H.; Langen, P.; Schurath, Ulrich
Near infrared emission bands of the HO\(_{2}\) radical
The Journal of Chemical Physics, 60 (11) :4623-4625
1974