The DFG-Priority Program 1145 Modern and universal first-principles methods for many-electron systems in chemistry and physics in cooperation with the GAMM Committee Efficient numerical methods for pdes and the Christian-Albrechts-University of Kiel organises the workshop
1st Scientific Computing Seminar
Numerical Analysis in Quantum Chemistry
Christian-Albrechts-University of Kiel, Germany
June 28th to 30th, 2004.
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Lecture on Monday, 28th of June, 2004
| 15.55 - 16.25 | Wolfgang Hackbusch (Leipzig): Approximation of 1/r by sums of exponentials | |
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Expansions of 1/x in sums of exponentials e-αnx or e-αnx2 have several applications. In the coupled cluster approach one wants to expand 1/(ε1 + ... + ε6). Another application is the computation of exp(A) for matrices A. We discuss various expansions and their error extimates. |