Abstract

Tensor network state methods in material science and ab initio quantum chemistry

Ors Legeza
Wigner Research Centre for Physics

In this contribution, we overview tensor network states techniques that
can be used for the treatment of high-dimensional optimization tasks used
in many-body quantum physics with long range interactions and ab initio
quantum chemistry. We will discuss the controlled manipulation of
entanglement in light of fermionic orbital optimization. Recent
developments on tree-tensor network states, multipartite entanglement,
time-dependent variational principle (TDVP), externally corrected coupled
cluster density matrix renormalization group (DMRG-TCCSD) method, will be
discussed in more detail. Finally, some new results will be shown for
extended periodic systems in one- and two dimensions, for topologically
protected end spins in carbon nanotubes, for transition metal complexes,
graphene nanoribbons and Wigner crystals.