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
- 1984
118.
Winter, R.; Kruse, H.; Fink, Ewald H.; Wildt, J{ü}rgen; Zabel, Friedhelm
b\(^{1}\)\(\Sigma\)\(^{+}\) Emissions from group V-VII diatomic molecules. b0\(^{+}\) → X\(_{1}\)0\(^{+}\), X\(_{2}\)1 emissions of AsI and SbI
Chemical Physics Letters, 104 (4) :383-388
1984117.
Kruse, H.; Winter, R.; Fink, Ewald H.; Wildt, Jürgen; Zabel, Friedhelm
b1Σ+ Emissions from group V-VII diatomic molecules. b0+ → X10+, X21 band systems of AsCl and AsBr
Chemical Physics Letters, 111 (1-2) :100-104
1984116.
Winter, R.; Kruse, H.; Fink, Ewald H.; Wildt, Jürgen; Zabel, Friedhelm
b1Σ+ Emissions from group V-VII diatomic molecules. b0+ → X10+, X21 emissions of AsI and SbI
Chemical Physics Letters, 104 (4) :383-388
1984115.
Jensen, Per
C\(_{3}\)O\(_{2}\) as a semirigid bender: The degenerate \(\nu\)\(_{5}\) state
Journal of Molecular Spectroscopy, 104 (1) :59-71
1984114.
Jensen, Per
C\(_{3}\)O\(_{2}\) as a semirigid bender: The degenerate \(\nu\)\(_{5}\) state
Journal of Molecular Spectroscopy, 104 (1) :59-71
1984113.
Jensen, Per
C3O2 as a semirigid bender: The degenerate ν5 state
Journal of Molecular Spectroscopy, 104 (1) :59-71
1984112.
Kreglewski, Marek; Jensen, Per
Determination of the skeletal bending potential function for SiH\(_{3}\)NCO from the microwave spectrum
Journal of Molecular Spectroscopy, 103 (2) :312-320
1984111.
Kreglewski, Marek; Jensen, Per
Determination of the skeletal bending potential function for SiH\(_{3}\)NCO from the microwave spectrum
Journal of Molecular Spectroscopy, 103 (2) :312-320
1984110.
Kreglewski, Marek; Jensen, Per
Determination of the skeletal bending potential function for SiH3NCO from the microwave spectrum
Journal of Molecular Spectroscopy, 103 (2) :312-320
1984109.
Glöckner, W.; Tausch, Michael W.; Autorenteam
MATERIALIEN FÜR DER KURSUNTERRICHT CHEMIE, Aufgabensammlung mit Klausur- und Abituraufgaben aus allen Bereichen der Schulchemie, 3 Bände
Herausgeber: Aulis Deubner\&Co KG, Köln
1984108.
Winkler, R.
Numerische Behandlung von parameterabhängigen Zwei-Punkt-Randwertaufgaben unter Berücksichtigung von Verzweigungsproblemen
Humboldt-Universität zu Berlin
1984107.
Bielefeld, M.; Elfers, G.; Fink, Ewald H.; Kruse, H.; Wildt, J{ü}rgen; Winter, R.; Zabel, Friedhelm
O\(_{2}\)(a\(^{1}\)\(\Delta\)\(_{g}\))-sensitized chemiluminescence of a\(^{1}\)\(\Delta\) → X\(^{3}\)\(\Sigma\)\(^{-}\) and b\(^{1}\)\(\Sigma\)\(^{+}\) → X\(^{3}\)\(\Sigma\)\(^{-}\) transitions of group VI-group VI and group V-group VII diatomic molecules
Journal of Photochemistry, 25 (2-4) :419-438
1984106.
Bielefeld, M.; Elfers, G.; Fink, Ewald H.; Kruse, H.; Wildt, J{ü}rgen; Winter, R.; Zabel, Friedhelm
O\(_{2}\)(a\(^{1}\)\(\Delta\)\(_{g}\))-sensitized chemiluminescence of a\(^{1}\)\(\Delta\) → X\(^{3}\)\(\Sigma\)\(^{-}\) and b\(^{1}\)\(\Sigma\)\(^{+}\) → X\(^{3}\)\(\Sigma\)\(^{-}\) transitions of group VI-group VI and group V-group VII diatomic molecules
Journal of Photochemistry, 25 (2-4) :419-438
1984105.
Bielefeld, M.; Elfers, G.; Fink, Ewald H.; Kruse, H.; Wildt, Jürgen; Winter, R.; Zabel, Friedhelm
O2(a1Δg)-sensitized chemiluminescence of a1Δ → X3Σ- and b1Σ+ → X3Σ- transitions of group VI-group VI and group V-group VII diatomic molecules
Journal of Photochemistry, 25 (2-4) :419-438
1984104.
Maten, E. J. W.
Stability analysis of finite difference methods for fourth order parabolic partial differential equations
Rijksuniversiteit Utrecht
1984103.
Becker, Karl Heinz; Horie, O.; Wiesen, Peter
The formation of CH radicals during the photolysis of CH\(_{2}\)N\(_{2}\) in the presence of hydrogen and oxygen atoms
Journal of Photochemistry, 24 (3) :293-297
1984102.
Becker, Karl Heinz; Horie, O.; Wiesen, Peter
The formation of CH radicals during the photolysis of CH\(_{2}\)N\(_{2}\) in the presence of hydrogen and oxygen atoms
Journal of Photochemistry, 24 (3) :293-297
1984101.
Becker, Karl Heinz; Horie, O.; Wiesen, Peter
The formation of CH radicals during the photolysis of CH2N2 in the presence of hydrogen and oxygen atoms
Journal of Photochemistry, 24 (3) :293-297
1984- 1983
100.
Bunker, Philip R.; Jensen, Per
A refined potential surface for the X\verb=~=\(^{3}\)B\(_{1}\) electronic state of methylene CH\(_{2}\)
The Journal of Chemical Physics, 79 (3) :1224-1228
198399.
Bunker, Philip R.; Jensen, Per
A refined potential surface for the X\verb=~=\(^{3}\)B\(_{1}\) electronic state of methylene CH\(_{2}\)
The Journal of Chemical Physics, 79 (3) :1224-1228
198398.
Bunker, Philip R.; Jensen, Per
A refined potential surface for the X~3B1 electronic state of methylene CH2
The Journal of Chemical Physics, 79 (3) :1224-1228
198397.
Winter, R.; Fink, Ewald H.; Wildt, J{ü}rgen; Zabel, Friedhelm
b\(^{1}\)\(\Sigma\)\(^{+}\) and a\(^{1}\)\(\Delta\) emissions from group VI-VI diatomic molecules: b0\(^{+}\) → X\(_{1}\)0\(^{+}\), X\(_{2}\)1 emissions of TeSe
Chemical Physics Letters, 94 (3) :335-338
198396.
Winter, R.; Fink, Ewald H.; Wildt, J{ü}rgen; Zabel, Friedhelm
b\(^{1}\)\(\Sigma\)\(^{+}\) and a\(^{1}\)\(\Delta\) emissions from group VI-VI diatomic molecules: b0\(^{+}\) → X\(_{1}\)0\(^{+}\), X\(_{2}\)1 emissions of TeSe
Chemical Physics Letters, 94 (3) :335-338
198395.
Winter, R.; Kruse, H.; Fink, Ewald H.; Wildt, J{ü}rgen
b\(^{1}\)\(\Sigma\)\(^{+}\) Emissions from group V-VII diatomic molecules: b0\(^{+}\) → X\(_{1}\)0\(^{+}\) emission of Pl
Chemical Physics Letters, 102 (5) :404-408
198394.
Winter, R.; Kruse, H.; Fink, Ewald H.; Wildt, J{ü}rgen
b\(^{1}\)\(\Sigma\)\(^{+}\) Emissions from group V-VII diatomic molecules: b0\(^{+}\) → X\(_{1}\)0\(^{+}\) emission of Pl
Chemical Physics Letters, 102 (5) :404-408
1983