Related papers: Configuration interaction approaches for solving q…
We present a novel theoretical approach to incorporate electronic interactions in the study of two-dimensional topological insulators. By exploiting the correspondence between edge state physics and entanglement spectrum in gapped…
We review a recently developed method, based on a pseudoparticle representation of correlated electrons, to describe both Fermi liquid and non-Fermi liquid behavior in quantum impurity systems. The role of the projection onto the physical…
We simulate the nonequilibrium dynamics of two generic many-body quantum impurity models by employing the recently developed iterative influence-functional path integral method [Phys. Rev. B {\bf 82}, 205323 (2010)]. This general approach…
A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
Correlated materials are known to display qualitatively distinct emergent behaviors at low energy. Conveniently, upon absorbing rapid quantum fluctuations, these rich low-energy behaviors can always be effectively described by dressed…
We develop a discrete fermion approach for modelling the strong interaction of an arbitrary system interacting with continuum electronic reservoirs. The approach is based on a pseudo-fermion decomposition of the continuum bath correlation…
Density matrix embedding theory (Phys. Rev. Lett. 109, 186404 (2012)) and density embedding theory ((Phys. Rev. B 89, 035140 (2014)) have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work,…
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…
The presence of solvent tunes many properties of a molecule, such as its ground and excited state geometry, dipole moment, excitation energy, and absorption spectrum. Because the energy of the system will vary depending on the solvent…
Anderson localization is a quantum phenomenon in which disorder localizes electronic wavefunctions. In this work, we propose a new approach to study Anderson localization based on the density matrix formalism. Drawing an analogy to the…
We study the low-temperature behavior of a magnetic impurity which is weakly coupled to correlated conduction electrons. To account for conduction electron interactions a diagrammatic approach in the frame of the 1/N expansion is developed.…
Finding a physically consistent approach to modelling interactions between classical and quantum systems is a highly nontrivial task. While many proposals based on various mathematical formalisms have been made, most of these efforts run…
In this work, we investigate the characteristics of the electric current in the so-called symmetric Anderson impurity model. We study the nonequilibrium model using two complementary approximate methods, the perturbative quantum master…
Dispersed impurities in diamond present a flourishing platform for research in quantum informatics, spintronics and single phonon emitters. Based on the vast pool of experimental and theoretical work describing impurity atoms in diamond, we…
The single-impurity Anderson model has been the focus of theoretical studies of molecular junctions and the single-electron transistor, a nanostructured device comprising a quantum dot that bridges two otherwise decoupled metallic leads.…
We investigate the superconducting Anderson impurity model for interacting quantum dot Josephson junctions with spin-orbit coupling and a term accounting for tunnelling through higher-energy orbitals. These elements establish the conditions…
Impurities in quantum materials have provided successful strategies for learning properties of complex states, ranging from unconventional superconductors to topological insulators. In quantum magnetism, inferring the Hamiltonian of an…
The electron and hole states in a CdTe quantum dot containing a single magnetic impurity in an external magnetic field are investigated, using the multiband approximation which includes the heavy hole-light hole coupling effects. The…
The low energy region of certain transition metal compounds reveals dramatic correlation effects between electrons, which can be studied by photoelectron spectroscopy. Theoretical investigations are often based on multi-orbital impurity…