相关论文: Atomic electronic states: the L-S and j-j coupling…
Here we present the program for the transformation of the expansions of the atomic state functions from LS- to jj-coupled bases. The program is a part of the coupling optimization package Laris and allows to transform the…
Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…
Transformation matrices of the weights of the atomic wave functions in jj coupling to the relevant weights of LS coupling are considered for a shell of equivalent electrons. Their use allows one to preserve main part of relativistic effects…
Transformation matrices between different coupling schemes are required, if a reliable classification of the level structure is to be obtained for open-shell atoms and ions. While, for instance, relativistic computations are traditionally…
We propose an effective model on the basis of a $j$-$j$ coupling scheme to describe local $f$-electron states for realistic values of Coulomb interaction $U$ and spin-orbit coupling $\lambda$, for future development of microscopic theory of…
The same 6j symbols that explains the absence of a certain atomic state in LS coupling also explain the absence of certain states for a system of bosons and also for certain nuclear states in jj coupling.
Partial atomic charges are a useful and intuitive concept for understanding molecular properties and chemical reaction mechanisms, showing how changes in molecular geometry can affect the flow of electronic charge within a molecule.…
The phase diagram of the two-dimensional t-J model is determined accurately at low electron density by a combination of analytic and numerical techniques. The ground state exhibits three phases in the limit of zero electron density: an…
Multiparticle entangled states generated via interaction between narrow-band light and an ensemble of identical two-level atoms are considered. Depending on the initial photon statistics, correlation between atoms and photons can give rise…
We present linear ensembles of dangling bond chains on a hydrogen terminated Si(100) surface, patterned in the closest spaced arrangement allowed by the surface lattice. Local density of states maps over a range of voltages extending…
Complexity in strongly correlated electron systems is analyzed by considering decoherence process between the localized state, |L> and the itinerant state, |I>. The coherent superposition state of a|I> + b|L> decoheres to the pointer states…
We describe an experimental scheme of preparing multipartite W class of maximally entangled states between many atomic ensembles. The scheme is based on laser manipulation of atomic ensembles and single-photon detection, and well fits the…
We consider a class of entangled states of a quantum system (S) and a second system (A) where pure states of the former are correlated with mixed states of the latter, and work out the entanglement measure with reference to the nearest…
We construct a microscopic model for f-electron systems, composed of f-electron hopping, Coulomb interaction, and crystalline electric field (CEF) terms. In order to clarify the meaning of one f-electron state, here the j-j coupling scheme…
The main purpose of thispaper is to show that composite quantum-like (QL) systems can closely mimic the separable states of quantum systems, and that suitable physical systems exhibiting these states exist. It is shown that QL graphs can…
Entanglement of remote atom lasers is obtained via quantum state transfer technique from lights to matter waves in a five-level $M$-type system. The considered atom-atom collisions can yield an effective Kerr susceptibility for this system…
Electronic states are responsible for most material properties, including chemical bonds, electrical and thermal conductivity, as well as optical and magnetic properties. Experimentally, however, they remain mostly elusive. Here, we report…
Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…
In this paper, we develop the notion of the linear atomic quantum coupler. This device consists of two modes propagating into two waveguides, each of them includes a localized and/or a trapped atom. These waveguides are placed close enough…
New ways to treat electron correlation in electronic structure problems are discussed in the context of many-electron theory. The present work focuses primarily on static correlation. In related work, a method for including dynamical…