Related papers: The program for the transformation of atomic state…
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…
A simple method is outlined for analytic evaluation of the basic 2-electron atomic integral with integrand containing products of atomic s-type Slater orbitals and exponentially correlated function of the form $r_{ij}…
We show that the introduction of a more general closed-shell operator allows one to extend Laughlin's wave function to account for the richer hierarchies (1/3, 2/5, 3/7 ...; 1/5, 2/9, 3/13, ..., etc.) found experimentally. The construction…
Solving the electronic Schrodinger equation for strongly correlated ground states is a long-standing challenge. We present quantum algorithms for the variational optimization of wavefunctions correlated by products of unitary operators,…
The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…
This study presents a novel optimisation technique for atomic structure calculations using the Flexible Atomic Code, focussing on complex multielectron systems relevant to $r$-process nucleosynthesis and kilonova modelling. We introduce a…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
The Jaynes-Cummings model describing the interaction of a single linearly- polarized mode of the quantized electromagnetic field with an isolated two- level atom is generalized to the case of atomic levels degenerate in the projections of…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…
The multiconfiguration Dirac-Fock method allows to calculate the state of relativistic electrons in atoms or molecules. This method has been known for a long time to provide certain wrong predictions in the nonrelativistic limit. We study…
We present a coherent filtering scheme which dramatically reduces the site occupation number defects for atoms in an optical lattice, by transferring a chosen number of atoms to a different internal state via adiabatic passage. With the…
We propose an implementation of the quantum fast Fourier transform algorithm in an entangled system of multilevel atoms. The Fourier transform occurs naturally in the unitary time evolution of energy eigenstates and is used to define an…
In the present paper by using Mathematica system a symbolic programming method for generation of the expressions of the expansion terms of atomic stationary perturbation theory (PT) is presented. For this purpose, the package named as…
We present the AMBiT software package for general atomic structure calculations. This software implements particle-hole configuration interaction with many-body perturbation theory (CI+MBPT) for fully relativistic calculations of atomic…
We investigate microscopic aspects of multipole ordering in f-electron systems with emphasis on the effect of lattice structure. For the purpose, first we construct f-electron models on three kinds of lattices, simple cubic (sc), bcc, and…
We develop strong-coupling series expansion methods to study two-particle spectra of quantum lattice models. At the heart of the method lies the calculation of an effective Hamiltonian in the two-particle subspace. We explicitly consider an…
The correlated basis function theory is applied to the study of medium-heavy doubly closed shell nuclei with different wave functions for protons and neutrons and in the jj coupling scheme. State dependent correlations including tensor…
We introduce deterministic state-transformation protocols between many-body quantum states which can be implemented by low-depth Quantum Circuits (QC) followed by Local Operations and Classical Communication (LOCC). We show that this gives…
We show that by means of connected-graph expansions one can effectively generate exact high-order series expansions which are informative of low-lying excited states for quantum many-body systems defined on a lattice. In particular, the…
The goal of the linear law-based feature space transformation (LLT) algorithm is to assist with the classification of univariate and multivariate time series. The presented R package, called LLT, implements this algorithm in a flexible yet…