相关论文: Analytical and numerical expressions for the numbe…
Model calculations of nuclear properties are peformed using quantum computing algorithms on simulated and real quantum computers. The models are a realistic calculation of deuteron binding based on effective field theory, and a simplified…
The position- and momentum-space information entropies of the electron distributions of atomic clusters are calculated using a Woods-Saxon single particle potential. The same entropies are also calculated for nuclear distributions according…
We study the collective decay of an initially inverted ensemble of two-level emitters in two distinct scenarios: when coupled to a squeezed photonic reservoir and when interacting with a one-dimensional waveguide. Using a quantum-state…
Within the two-center shell model parameterization we have defined the optimal shape which fissioning nuclei attain just before the scission and calculated the total deformation energy (liquid drop part plus the shell correction) as…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
The two-photon-exchange diagrams for atoms with single valence electrons are investigated. Calculation formulas are derived for an arbitrary state within the rigorous bound-state QED framework utilizing the redefined vacuum formalism. In…
Electron pairing at low temperatures leads to superconductivity. A fundamental question is whether more complex states - characterized by order in four-electron composite objects, termed electron quadrupling or composite order - can exist…
Correspondences between the Thomson Problem and atomic electron shell-filling patterns are observed as systematic non-uniformities in the distribution of potential energy necessary to change configurations of $N\le 100$ electrons into…
We present the results of self-consistent calculations of the electronic shell and supershell structure for clusters having up to 6000 valence electrons. The ionic background is described in terms of a homogeneous jellium. The calculations…
From the lightest Hydrogen isotopes up to the recently synthesized Oganesson (Z=118), it is estimated that as many as about 3000 atomic nuclei could exist in nature. Most of these nuclei are too short-lived to be occurring on Earth, but…
Large-scale shell-model calculations were carried out for the half-lives and branching ratios of the $2\nu\beta\beta$ decay of $^{76}$Ge to the ground state and the lowest three excited states $2_1^+$, $0_2^+$ and $2_2^+$ in $^{76}$Se. In…
Multiresolution analysis of electronic structure affords the opportunity to capture the full physics of atomic cores in a systematically improvable manner. Applying new techniques, we demonstrate for the first time that multiresolution…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
We develop a quantum mechanical theory to describe the optical response of semiconductor nanostructures with a particular emphasis on higher-order harmonic Generation. Based on a tight-binding approach we take all two-particle correlations…
A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electrons, and the many-body wave function of the system is…
The electronic properties of one-dimensional clusters of N atoms or molecules have been studied. The model used is similar to the Kronig-Penney model with the potential offered by each ion being approximated by an attractive delta function.…
This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
Quantum Monte Carlo approaches based on the stochastic sampling of the determinant space have evolved to be powerful methods to compute the electronic states of molecules. These methods not only calculate the correlation energy at an…
To constitute atoms of a $\sigma$ algebra is not a easy task due to the large number of its elements. However, determining them via generators seems a feasible and simple way since most $\sigma$ algebras are generated by their smaller…