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MiS Preprint Repository

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MiS Preprint
8/2013

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

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

Abstract

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.

Received:
Jan 25, 2013
Published:
Jan 25, 2013

Related publications

inJournal
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