A simple nonrecursive form of the tensor decomposition in d dimensions is presented. It does not inherently suffer from the curse of dimensionality, it has asymptotically the same number of parameters as the canonical decomposition, but it is stable and its computation is based on low-rank approximation of auxiliary unfolding matrices. The new form gives a clear and convenient way to implement all basic operations efficiently. A fast rounding procedure is presented, as well as basic linear algebra operations. Examples showing the benefits of the decomposition are given, and the efficiency is demonstrated by the computation of the smallest eigenvalue of a 19-dimensional operator.

We show that the time-dependent variational principle provides a unifying framework for time-evolution methods and optimization methods in the context of matrix product states. In particular, we introduce a new integration scheme for studying time evolution, which can cope with arbitrary Hamiltonians, including those with long-range interactions. Rather than a Suzuki-Trotter splitting of the Hamiltonian, which is the idea behind the adaptive time-dependent density matrix renormalization group method or time-evolving block decimation, our method is based on splitting the projector onto the matrix product state tangent space as it appears in the Dirac-Frenkel time-dependent variational principle. We discuss how the resulting algorithm resembles the density matrix renormalization group (DMRG) algorithm for finding ground states so closely that it can be implemented by changing just a few lines of code and it inherits the same stability and efficiency. In particular, our method is compatible with any Hamiltonian for which ground-state DMRG can be implemented efficiently. In fact, DMRG is obtained as a special case of our scheme for imaginary time evolution with infinite time step.

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For d-dimensional tensors with possibly large $d>3$, an hierarchical data structure, called the Tree-Tucker format, is presented as an alternative to the canonical decomposition. It has asymptotically the same (and often even smaller) number of representation parameters and viable stability properties. The approach involves a recursive construction described by a tree with the leafs corresponding to the Tucker decompositions of three-dimensional tensors, and is based on a sequence of SVDs for the recursively obtained unfolding matrices and on the auxiliary dimensions added to the initial “spatial” dimensions. It is shown how this format can be applied to the problem of multidimensional convolution. Convincing numerical examples are given.

A robust and efficient time integrator for dynamical tensor approximation in the tensor train or matrix product state format is presented. The method is based on splitting the projector onto the tangent space of the tensor manifold. The algorithm can be used for updating time-dependent tensors in the given data-sparse tensor train/matrix product state format and for computing an approximate solution to high-dimensional tensor differential equations within this data-sparse format. The formulation, implementation, and theoretical properties of the proposed integrator are studied, and numerical experiments with problems from quantum molecular dynamics and with iterative processes in the tensor train format are included.