Related papers: Configuration interaction study of single and doub…
The interactions between holes in the Hubbard model, in the low density, intermediate to strong coupling limit, are investigated by systematically improving mean field calculations. The Configuration Interaction basis set is constructed by…
Experiments show several steps in hysteresis loops of high spin nanocluster $Fe_8$. It is thought that these steps are due to thermally assisted resonant tunneling between different quanta spin states. Up to now, in calculatiing it, only…
We report ground- and excited-state dipole moments and oscillator strengths (computed in different ``gauges'' or representations) of full configuration interaction (FCI) quality using the selected configuration interaction method known as…
Fission of doubly charged metal clusters is studied using the open-shell two-center deformed jellium Hartree-Fock model and Local Density Approximation. Results of calculations of the electronic structure and fission barriers for the…
We show that the dynamics of the surface plasmon in metallic nanoparticles damped by its interaction with particle-hole excitations can be modelled by a single degree of freedom coupled to an environment. In this approach, the fast decrease…
Electroexcitations of the dominantly T=1 particle-hole states of C-12 are studied in the framework of the harmonic oscillator shell model. All possible T=1 single-particle-hole states of all allowed angular momenta are considered in a basis…
We investigate theoretically the formation of collective excitations in atomic scale quasi-one dimensional metallic nanostructures. The response of the system is calculated within the linear response theory and random phase approximation.…
e analyze the excitation of Ar substrate in contact with Na clusters using a previously developed hierarchical model for the description of the system constituted of a highly reactive metal cluster in contact with a rather inert substrate.…
A model describing the dynamics of crystal exciton states on a hexagonal lattice has been studied. The hamiltonian includes terms describing the movement of the exciton throughout the crystal. Here we generalize the hamiltonian by including…
Motivated by recent developments in magnetic materials, frustrated nanoarrays and cold atomic systems, we investigate the behaviour of dipolar spins on the frustrated two-dimensional kagome lattice. By combining the Luttinger-Tisza…
We perform coupled-cluster calculations of ground- and dipole excited-state properties of the 8He halo nucleus with nucleon-nucleon and three-nucleon interactions from chiral effective field theory, both with and without explicit delta…
The electrostatic interaction between metal spheres is an influential component in the assembly of many nanoscale materials in chemistry. Here we derive a method to calculate the energy and polarizations of metal spheres in arbitrary…
The kagome lattice can host exotic magnetic phases arising from frustrated and competing magnetic interactions. However, relatively few insulating kagome materials exhibit incommensurate magnetic ordering. Here, we present a study of the…
A new state specific correlation correction to configuration interaction singles (CIS) excitation energies is preseted using coupled cluster perturbation theory (CCPT). General expressions for CIS-CCPT are derived and expanded explicitly to…
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 explore the collective electromagnetic response in atomic clusters of various sizes and geometries. Our aim is to understand, and hence to control, their dielectric response, based on a fully quantum-mechanical description which captures…
Based on the metastable electron-pair energy band in a two-dimensional (2D) periodic potential obtained previously by Hai and Castelano [J. Phys.: Condens. Matter 26, 115502 (2014)], we present in this work a Hamiltonian of many electrons…
A novel interaction mechanism in MOSFET structures and $GaAs/AlGaAs$ hetero-junctions between the zone electrons of the two-dimensional (2D) gas and the charged traps on the insulator side is considered. By applying a canonical…
The configuration interaction relativistic Hartree-Fock (CI-RHF) model is developed in this work. Compared to the conventional configuration interaction shell model (CISM), the CI-RHF model can be applied to study the structural properties…
We study the plasmon excitations and the electromagnetic response of the magnetically doped single layer and multilayer of ``helical metals'', which emerge at the surfaces of topological insulators. For the single layer case, we find a…