MiS Preprint Repository

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 ( 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

Tensor Representation Techniques in post-Hartree Fock Methods: Matrix Product State Tensor Format

Mike Espig, Henry Auer, Wolfgang Hackbusch, Udo Benedikt and Alexander Auer


A approximation for post-Hartree Fock (HF) methods is presented applying tensor decomposition techniques in the matrix product state tensor format. In this ansatz, multidimensional tensors like integrals or wavefunction parameters are processed as an expansion of one-dimensional representing vectors. This approach has the potential to decrease the computational effort and the storage requirements of conventional algorithms drastically while allowing for rigorous truncation and error estimation.


Related publications

2013 Repository Open Access
Udo Benedikt, Henry Auer, Mike Espig, Wolfgang Hackbusch and Alexander A. Auer

Tensor representation techniques in post-Hartree-Fock methods : matrix product state tensor format

In: Molecular physics, 111 (2013) 16/17, pp. 2398-2413