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We have decided to discontinue the publication of preprints on our preprint server as of 1 March 2024. The publication culture within mathematics has changed so much due to the rise of repositories such as ArXiV (www.arxiv.org) that we are encouraging all institute members to make their preprints available there. An institute's repository in its previous form is, therefore, unnecessary. The preprints published to date will remain available here, but we will not add any new preprints here.

MiS Preprint
18/2000

The efficient computation of scalar products of certain antisymmetric functions

Wolfgang Hackbusch

Abstract

The solution of Schrödinger's equation leads to a high number N of independent variables. Furthermore, the restriction to (anti)symmetric functions implies some complications. We propose a sparse-grid approximation which leads to a set of non-orthogonal basis. Due to the antisymmetry, scalar products are expressed by sums of $ N \times N $-determinants. More precisely, we have to determine $$ det_K (A) := \sum\limits_{1\leq i_1 , i_2 ,...,i_K \leq N} det (\alpha^{(\beta)}_{i_\alpha , i_\beta })_{\alpha, \beta =1,...,K` }$$ where $ \alpha^{(\beta)}_{i_\alpha ,i_\beta}$ are entries of the K matrices in $A:=(A^{(1)},...,A^{K}$ We propose a method to evaluate this expression such that the computational cost amounts to $O(N^3)$ for fixed K, while the storage requirements are $O(N^2)$.

Received:
01.03.00
Published:
01.03.00
MSC Codes:
65F40, 81-08
Keywords:
schrödinger equation, antisymmetric functions, sparse grids, evaluation of scalar products

Related publications

inJournal
2001 Repository Open Access
Wolfgang Hackbusch

The efficient computation of certain determinants arising in the treatment of Schrödinger's equations

In: Computing, 67 (2001) 1, pp. 35-56