Related papers: Multi-orbital Cluster Perturbation Theory for tran…
We present an introduction to the theory of open extended quantum systems. We begin with a microscopic derivation of the so-called Lindblad equation followed by a more abstract approach. Next, we introduce collision models, a versatile…
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragment correlation on the inter-fragment interaction are…
Multicomponent systems are defined as chemical systems that require a quantum mechanical description of two or more different types of particles. Non-Born-Oppenheimer electron-nuclear interactions in molecules, electron-hole interactions in…
We have developed a relativistic coupled-cluster theory to incorporate nuclear spin-dependent interaction Hamiltonians perturbatively. In this theory, the coupled-cluster operators in the electronic sector are defined as tensor operators of…
A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order M{\o}ller-Plesset partitioning of the Hamiltonian is used to obtain the well known…
We study detailed classical-quantum correspondence for a cluster system of three spins with single-axis anisotropic exchange coupling. With autoregressive spectral estimation, we find oscillating terms in the quantum density of states…
Metal-organic frameworks (MOFs) are highly interesting and tunable materials. By incorporating spatial defects into their atomic structure, MOFs can be finetuned to exhibit precise chemical functionalities, extending their applicability in…
In this study, we formulate a set of differential equations for a binary system to describe the secular-tidal evolution of orbital elements, rotational dynamics, and deformation (flattening), under the assumption that one body remains…
We present an approach to turbulence closure based on mixing length theory with three-dimensional fluctuations against a two-dimensional background. This model is intended to be rapidly computable for implementation in stellar evolution…
Electron transport through amorphous monatomic metallic structures generated earlier by molecular dynamics simulations is studied numerically. The interference of electronic trajectories backscattered by the structural disorder probes the…
Jahn--Teller (JT) distortions are a key driver of physical properties in many correlated oxide materials. Cooperative JT distortions, in which long-range orbital order reduces the symmetry of the average structure macroscopically, are…
We consider a model of strongly correlated $e_g$ electrons interacting by superexchange orbital interactions in the ferromagnetic phase of LaMnO$_3$. It is found that the classical orbital order with alternating occupied $e_g$ orbitals has…
A short introduction to the complex phenomena encountered in transition metal oxides with either charge or orbital or joint charge-and-orbital order, usually accompanied by magnetic order, is presented. It is argued that all the types of…
While a wealth of results has been obtained for chaos in single-particle quantum systems, much less is known about chaos in quantum many-body systems. We contribute to recent efforts to make a semiclassical analysis of such systems…
Metallic nanoclusters displaying electronic shell structure exhibit the special feature of a correlation between their geometry and the number of delocalized electrons . Their shape evolution can be described as a quantum oscillation…
We expect that the experimental study of percolation cluster formation and appearance of the critical transparency of the strongly interacting matter can give the information about the onset state of deconfinement.
We construct a general theoretical framework for describing curvature-induced spin-orbit interactions on the basis of group theory. Our theory can systematically determine the emergence of spin splitting in the band structure according to…
This work presents precise calculations of important electromagnetic transition amplitudes along with detail of their many-body correlations using relativistic coupled cluster method. Studies of hyperfine interaction constants, useful for…
In this overview we provide a general introduction to metal-insulator transitions, with focus on specific mechanisms that can localize the electrons in absence of magnetic or charge ordering, and produce well defined quantum critical…
Multiorbital correlated materials are often on the verge of multiple electronic phases (metallic, insulating, super- conducting, charge and orbitally ordered), which can be explored and controlled by small changes of the external…