Related papers: Multi-orbital Cluster Perturbation Theory for tran…
The fundamental correspondence between quantum chaotic single-particle systems and random matrix theory is well-understood via periodic orbit theory. In contrast, we show that many-body systems with explicit subsystem structure possess…
The concept of spin-orbital entanglement on superexchange bonds in transition metal oxides is introduced and explained on several examples. It is shown that spin-orbital entanglement in superexchange models destabilizes the long-range (spin…
Quantum periodic cluster methods for strongly correlated electron systems are reformulated and developed. The reformulation and development are based on a canonical transformation which periodizes the fermions in the cluster space. The…
A recently synthesised series of isostructural compounds Ba$_4$NbTM$_3$O$_{12}$ (TM = Mn, Rh and Ir) with transition-metal trimers in a face-sharing geometry makes it possible to examine a tendency to the molecular orbitals (MO) formation…
We introduce techniques for analysing the structure of quantum states of many-body localized (MBL) spin chains by identifying correlation clusters from pairwise correlations. These techniques proceed by interpreting pairwise correlations in…
We describe the implementation details of periodic local coupled-cluster theory with single and double excitations (CCSD) and perturbative triple excitations [CCSD(T)] using local natural orbitals (LNOs) and $k$-point symmetry. We discuss…
The role of orbital ordering on metal-insulator transition of transition-metal oxides is investigated by the cluster self-consistent field approach in the strong correlation regime. A clear dependence of the insulating gap on the orbital…
Oxide heterostructures are a new class of materials by design, that open the possibility for engineering challenging electronic properties, in particular correlation effects beyond an effective single-particle description. This short review…
This work explores a simple approximation to describe isolated impurity scattering in a strongly correlated metal. The approximation combines conventional one electron scattering theory and the Dynamic Mean Field Theory to describe strong…
Clustering is one of the most complex phenomena known to the structure of atomic nuclei. A comprehensive description of this ubiquitous phenomenon goes beyond standard shell model and cluster model frameworks. We argue that clustering is a…
A wide variety of experimental results and theoretical investigations in recent years have convincingly demonstrated that several transition metal oxides and other materials, have dominant states that are not spatially homogeneous. This…
We introduce an Eulerian Perturbation Theory to study the clustering of tracers for cosmologies in the presence of massive neutrinos. Our approach is based on mapping recently-obtained Lagrangian Perturbation Theory results to the Eulerian…
The appearance of charged-particle clustering in near-threshold configuration is a phenomenon that can be explained in the Open Quantum System description of the atomic nucleus. In this work we apply the realistic Shell Model Embedded in…
We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (M{\o}ller-Plesset, MP) and coupled cluster (CC) theories are used…
Recently developed strong-coupling theory open up the possibility of treating quantum-mechanical systems with hard-wall potentials via perturbation theory. To test the power of this theory we study here the exactly solvable quantum…
We present recent theoretical investigations on the dynamics of metal clusters in contact with an environment, deposited of embedded. This concerns soft deposition as well as irradiation of the deposited/embedded clusters by intense laser…
Electronic and vibrational degrees of freedom in atom-cluster collisions are treated simultaneously and self-consistently by combining time-dependent density functional theory with classical molecular dynamics. The gradual change of the…
The metal-insulator transition in correlated electron systems, where electron states transform from itinerant to localized, has been one of the central themes of condensed matter physics for more than half a century. The persistence of this…
Percolation has long served as a model for diverse phenomena and systems. The percolation transition, that is, the formation of a giant cluster on a macroscopic scale, is known as one of the most robust continuous transitions. Recently,…
The cluster perturbation theory (CPT) is one of the simplest but systematic quantum cluster approaches to lattice models of strongly correlated electrons with local interactions. By treating the inter-cluster potential, in addition to the…