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



2006

1543.

Stemmler, Konrad; Ammann, Markus; Donders, Chantal; Kleffmann, Jörg; George, Christian
Photosensitized reduction of nitrogen dioxide on humic acid as a source of nitrous acid
Nature, 440 (7081) :195-198
2006
Herausgeber: Nature Publishing Group

1542.

Stemmler, Konrad; Ammann, Markus; Donders, Chantal; Kleffmann, Jörg; George, Christian
Photosensitized reduction of nitrogen dioxide on humic acid as a source of nitrous acid
Nature, 440 (7081) :195-198
2006
Herausgeber: Nature Publishing Group

1541.

Farkas, Bálint; Révész, Szilárd Gy.
Potential theoretic approach to rendezvous numbers
Monatsh. Math., 148 (4) :309-331
2006

1540.

Short, Luke Chandler; Benter, Thorsten
Principles of solution thermodynamics: Demonstration of nonideal behavior of Henry's law. An undergraduate laboratory experiment
Journal of Chemical Education, 83 (8) :1233-1236
2006

1539.

Short, Luke Chandler; Benter, Thorsten
Principles of solution thermodynamics: Demonstration of nonideal behavior of Henry's law. An undergraduate laboratory experiment
Journal of Chemical Education, 83 (8) :1233-1236
2006

1538.

Short, Luke Chandler; Benter, Thorsten
Principles of solution thermodynamics: Demonstration of nonideal behavior of Henry's law. An undergraduate laboratory experiment
Journal of Chemical Education, 83 (8) :1233-1236
2006

1537.

Zhou, Shouming; Barnes, Ian; Zhu, Tong; Klotz, Bj{ö}rn; Albu, Mihaela; Bejan, Iustinian; Benter, Thorsten
Product study of the OH, NO\(_{3}\), and O\(_{3}\) initiated atmospheric photooxidation of propyl vinyl ether
Environmental Science and Technology, 40 (17) :5415-5421
2006

1536.

Zhou, Shouming; Barnes, Ian; Zhu, Tong; Klotz, Bj{ö}rn; Albu, Mihaela; Bejan, Iustinian; Benter, Thorsten
Product study of the OH, NO\(_{3}\), and O\(_{3}\) initiated atmospheric photooxidation of propyl vinyl ether
Environmental Science and Technology, 40 (17) :5415-5421
2006

1535.

Zhou, Shouming; Barnes, Ian; Zhu, Tong; Klotz, Björn; Albu, Mihaela; Bejan, Iustinian; Benter, Thorsten
Product study of the OH, NO3, and O3 initiated atmospheric photooxidation of propyl vinyl ether
Environmental Science and Technology, 40 (17) :5415-5421
2006

1534.

Albu, Mihaela; Barnes, Ian; Becker, Karl Heinz; Patroescu-Klotz, Iulia; Mocanu, Raluca; Benter, Thorsten
Rate coefficients for the gas-phase reaction of OH radicals with dimethyl sulfide: Temperature and O\(_{2}\) partial pressure dependence
Physical Chemistry Chemical Physics, 8 (6) :728-736
2006

1533.

Albu, Mihaela; Barnes, Ian; Becker, Karl Heinz; Patroescu-Klotz, Iulia; Mocanu, Raluca; Benter, Thorsten
Rate coefficients for the gas-phase reaction of OH radicals with dimethyl sulfide: Temperature and O\(_{2}\) partial pressure dependence
Physical Chemistry Chemical Physics, 8 (6) :728-736
2006

1532.

Albu, Mihaela; Barnes, Ian; Becker, Karl Heinz; Patroescu-Klotz, Iulia; Mocanu, Raluca; Benter, Thorsten
Rate coefficients for the gas-phase reaction of OH radicals with dimethyl sulfide: Temperature and O2 partial pressure dependence
Physical Chemistry Chemical Physics, 8 (6) :728-736
2006

1531.

Solignac, G.; Mellouki, Abdelwahid; Le Bras, G.; Barnes, Ian; Benter, Thorsten
Reaction of Cl atoms with C\(_{6}\)F\(_{13}\)CH\(_{2}\)OH, C\(_{6}\)F\(_{13}\)CHO, and C\(_{3}\)F\(_{7}\)CHO
Journal of Physical Chemistry A, 110 (13) :4450-4457
2006

1530.

Solignac, G.; Mellouki, Abdelwahid; Le Bras, G.; Barnes, Ian; Benter, Thorsten
Reaction of Cl atoms with C\(_{6}\)F\(_{13}\)CH\(_{2}\)OH, C\(_{6}\)F\(_{13}\)CHO, and C\(_{3}\)F\(_{7}\)CHO
Journal of Physical Chemistry A, 110 (13) :4450-4457
2006

1529.

Solignac, G.; Mellouki, Abdelwahid; Le Bras, G.; Barnes, Ian; Benter, Thorsten
Reaction of Cl atoms with C6F13CH2OH, C6F13CHO, and C3F7CHO
Journal of Physical Chemistry A, 110 (13) :4450-4457
2006

1528.

Spittler, M.; Barnes, Ian; Bejan, Iustinian; Brockmann, Klaus Josef; Benter, Thorsten; Wirtz, K.
Reactions of NO\(_{3}\) radicals with limonene and \(\alpha\)-pinene: Product and SOA formation
Atmospheric Environment, 40 :116-127
2006
Herausgeber: Pergamon

1527.

Spittler, M.; Barnes, Ian; Bejan, Iustinian; Brockmann, Klaus Josef; Benter, Thorsten; Wirtz, K.
Reactions of NO\(_{3}\) radicals with limonene and \(\alpha\)-pinene: Product and SOA formation
Atmospheric Environment, 40 :116-127
2006
Herausgeber: Pergamon

1526.

Spittler, M.; Barnes, Ian; Bejan, Iustinian; Brockmann, Klaus Josef; Benter, Thorsten; Wirtz, K.
Reactions of NO\(_{3}\) radicals with limonene and alpha-pinene: Product and SOA formation
Atmospheric Environment, 40 (1) :S116-S127
2006

1525.

Spittler, M.; Barnes, Ian; Bejan, Iustinian; Brockmann, Klaus Josef; Benter, Thorsten; Wirtz, K.
Reactions of NO\(_{3}\) radicals with limonene and alpha-pinene: Product and SOA formation
Atmospheric Environment, 40 (1) :S116-S127
2006

1524.

Spittler, M.; Barnes, Ian; Bejan, Iustinian; Brockmann, Klaus Josef; Benter, Thorsten; Wirtz, K.
Reactions of NO3 radicals with limonene and alpha-pinene: Product and SOA formation
Atmospheric Environment, 40 (1) :S116-S127
2006

1523.

Spittler, M.; Barnes, Ian; Bejan, Iustinian; Brockmann, Klaus Josef; Benter, Thorsten; Wirtz, K.
Reactions of NO3 radicals with limonene and α-pinene: Product and SOA formation
Atmospheric Environment, 40 :116-127
2006
Herausgeber: Pergamon

1522.

Short, Luke Chandler; Frey, Rüdiger; Benter, Thorsten
Real-Time Analysis of Exhaled Breath via Resonance-Enhanced Multiphoton Ionization-Mass Spectrometry with a Medium Pressure Laser Ionization Source: Observed Nitric Oxide Profile
Applied Spectroscopy, 60 (2) :217-222
2006
Herausgeber: SAGE PublicationsSage UK: London, England

1521.

Short, Luke Chandler; Frey, R{ü}diger; Benter, Thorsten
Real-Time Analysis of Exhaled Breath via Resonance-Enhanced Multiphoton Ionization-Mass Spectrometry with a Medium Pressure Laser Ionization Source: Observed Nitric Oxide Profile
Applied Spectroscopy, 60 (2) :217-222
2006
Herausgeber: SAGE PublicationsSage UK: London, England

1520.

Short, Luke Chandler; Frey, R{ü}diger; Benter, Thorsten
Real-Time Analysis of Exhaled Breath via Resonance-Enhanced Multiphoton Ionization-Mass Spectrometry with a Medium Pressure Laser Ionization Source: Observed Nitric Oxide Profile
Applied Spectroscopy, 60 (2) :217-222
2006
Herausgeber: SAGE PublicationsSage UK: London, England

1519.

Farkas, Bálint; Révész, Szilárd Gy.
Rendezvous numbers of metric spaces--a potential theoretic approach
Arch. Math. (Basel), 86 (3) :268-281
2006