Dynamical Topological Quantum Phase Transitions in Nonintegrable Models.

We consider sudden quenches across quantum phase transitions in the S=1 XXZ model starting from the Haldane phase. We demonstrate that dynamical phase transitions may occur during these quenches that are identified by nonanalyticities in the rate function for the return probability. In addition, we show that the temporal behavior of the string order parameter is intimately related to the subsequent dynamical phase transitions. We furthermore find that the dynamical quantum phase transitions can be accompanied by enhanced two-site entanglement.

Imaging the electronic Wigner crystal in one dimension.

The quantum crystal of electrons, predicted more than 80 years ago by Eugene Wigner, remains one of the most elusive states of matter. In this study, we observed the one-dimensional Wigner crystal directly by imaging its charge density in real space. To image, with minimal invasiveness, the many-body electronic density of a carbon nanotube, we used another nanotube as a scanning-charge perturbation. The images we obtained of a few electrons confined in one dimension match the theoretical predictions for strongly interacting crystals. The quantum nature of the crystal emerges in the observed collective tunneling through a potential barrier. These experiments provide the direct evidence for the formation of small Wigner crystals and open the way for studying other fragile interacting states by imaging their many-body density in real space.

Fermionic Orbital Optimization in Tensor Network States.

Tensor network states and specifically matrix-product states have proven to be a powerful tool for simulating ground states of strongly correlated spin models. Recently, they have also been applied to interacting fermionic problems, specifically in the context of quantum chemistry. A new freedom arising in such nonlocal fermionic systems is the choice of orbitals, it being far from clear what choice of fermionic orbitals to make. In this Letter, we propose a way to overcome this challenge. We suggest a method intertwining the optimization over matrix product states with suitable fermionic Gaussian mode transformations. The described algorithm generalizes basis changes in the spirit of the Hartree-Fock method to matrix-product states, and provides a black box tool for basis optimization in tensor network methods.

On the calculation of complete dissociation curves of closed-shell pseudo-onedimensional systems via the complete active space method of increments.

The method of increments (MoI) has been employed using the complete active space formalism in order to calculate the dissociation curve of beryllium ring-shaped clusters Be(n) of different sizes. Benchmarks obtained through different quantum chemical methods including the ab initio density matrix renormalization group were used to verify the validity of the MoI truncation which showed a reliable behavior for the whole dissociation curve. Moreover we investigated the size dependence of the correlation energy at different interatomic distances in order to extrapolate the values for the periodic chain and to discuss the transition from a metal-like to an insulator-like behavior of the wave function through quantum chemical considerations.

Tree Tensor Network State with Variable Tensor Order: An Efficient Multireference Method for Strongly Correlated Systems.

We study the tree-tensor-network-state (TTNS) method with variable tensor orders for quantum chemistry. TTNS is a variational method to efficiently approximate complete active space (CAS) configuration interaction (CI) wave functions in a tensor product form. TTNS can be considered as a higher order generalization of the matrix product state (MPS) method. The MPS wave function is formulated as products of matrices in a multiparticle basis spanning a truncated Hilbert space of the original CAS-CI problem. These matrices belong to active orbitals organized in a one-dimensional array, while tensors in TTNS are defined upon a tree-like arrangement of the same orbitals. The tree-structure is advantageous since the distance between two arbitrary orbitals in the tree scales only logarithmically with the number of orbitals N, whereas the scaling is linear in the MPS array. It is found to be beneficial from the computational costs point of view to keep strongly correlated orbitals in close vicinity in both arrangements; therefore, the TTNS ansatz is better suited for multireference problems with numerous highly correlated orbitals. To exploit the advantages of TTNS a novel algorithm is designed to optimize the tree tensor network topology based on quantum information theory and entanglement. The superior performance of the TTNS method is illustrated on the ionic-neutral avoided crossing of LiF. It is also shown that the avoided crossing of LiF can be localized using only ground state properties, namely one-orbital entanglement.

Entropic analysis of quantum phase transitions from uniform to spatially inhomogeneous phases.

We propose a new approach to study quantum phase transitions in low-dimensional fermionic or spin models that go from uniform to spatially inhomogeneous phases such as dimerized, trimerized, or incommensurate phases. It is based on studying the length dependence of the von Neumann entropy and its corresponding Fourier spectrum for finite segments in the ground state of finite chains. Peaks at a nonzero wave vector are indicators of oscillatory behavior in decaying correlation functions and also provide significant information about certain relevant features of the excitation spectrum; in particular, they can identify the wave vector of soft modes in critical models.

Two-site entropy and quantum phase transitions in low-dimensional models.

We propose a new approach to study quantum phase transitions in low-dimensional lattice models. It is based on studying the von Neumann entropy of two neighboring central sites in a long chain. It is demonstrated that the procedure works equally well for fermionic and spin models, and the two-site entropy is a better indicator of quantum phase transition than calculating gaps, order parameters, or the single-site entropy. The method is especially convenient when the density-matrix renormalization-group algorithm is used.