Related papers: Atomic density functions: atomic physics calculati…
As quantum analogs of the classical Kolmogorov-Sinai entropy, quantum dynamical entropies have emerged as important tools to characterize complex quantum dynamics. In particular, Alicki-Fannes-Lindblad (AFL) entropy, which quantifies the…
We develop a model describing long-range atom-atom interactions in a two-dimensional periodic or a-periodic lattice of optical centers considering spectral and spatial broadening effects. Using both analytical and numerical Green's function…
Based on thermodynamic integration we introduce atoms in molecules (AIM) using the orbital-free framework of alchemical perturbation density functional theory (APDFT). Within APDFT, atomic energies and electron densities in molecules are…
A brief review of the search for variation of the fine structure constant in quasar absorption spectra is presented. Special consideration is given to the role of atomic calculations in the analysis of the observed data. A range of methods…
A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation…
Identical particle correlations at fixed multiplicity are consideres in the presence of chaotic and coherent fields. The multiplicity distribution, one-particle momentum density, and two-particle correlation function are obtained based on…
Attempts to understand zero temperature phase transitions have forced physicists to consider a regime where the standard paradigms of condensed matter physics break down [1-4]. These quantum critical systems lack a simple description in…
An extremely easy method for accurately calculating the adiabatic connection of density functional theory is presented, and its accuracy tested on both Hooke's atom and the He atom. The method is easy because calculations are needed only…
This report summarizes laboratory measurements of atomic wavelengths, energy levels, hyperfine and isotope structure, energy level lifetimes, and oscillator strengths. Theoretical calculations of lifetimes and oscillator strengths are also…
We illustrate the main features of a recently proposed method based on ensemble density functional theory to divide rigorously a complex molecular system into its parts [M.H. Cohen and A. Wasserman, J. Phys. Chem. A 111, 2229 (2007)]. The…
Nucleon momentum distributions at various densities and isospin-asymmetries for nuclear matter are investigated systematically within the extended Bruecker-Hartree-Fock approach.The shapes of the normalized momentum distributions varying…
A systematic study of nuclear level densities has been carried out within the relativistic Hartree-Bogoliubov plus combinatorial framework. Calculations were performed for even-even nuclei with available experimental data, based on the…
Density functional theory (DFT), one of the most widely utilized methods available to computational chemistry, fails to describe systems with statically correlated electrons. To address this shortcoming, in previous work we transformed DFT…
We present a novel nuclear energy density functional method to calculate spectroscopic properties of atomic nuclei. Intrinsic nuclear quadrupole deformations and rotational frequencies are considered simultaneously as the degrees of freedom…
We propose a method to probe the local density of states (LDOS) of atomic systems that provides both spatial and energy resolution. The method combines atomic and tunneling techniques to supply a simple, yet quantitative and operational,…
Entanglement in high energy and and nuclear reactions is receiving great attention. A proper description of these reactions uses density matrices, and the express of entanglement in terms of {\it separability}. Quantum tomography bypasses…
In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems,…
The advent of the Hohenberg-Kohn theorem in 1964, its extension to finite-T, Kohn-Sham theory, and relativistic extensions provide the well-established formalism of density-functional theory (DFT). This theory enables the calculation of all…
A mixture of spin-1/2 fermionic atoms and molecules of paired fermionic atoms is studied in an optical lattice. The molecules are formed by an attractive nearest-neighbor interaction. A functional integral is constructed for this many-body…
The spectral function for finite nuclei is computed within the framework of the Local Density Approximation, starting from nuclear matter spectral functions obtained with a realistic nucleon-nucleon interaction. The spectral function is…