Related papers: The three-center two-positron bond
Here we demonstrate that significant progress in this area may be achieved by introducing structural elements that form hydrogen bonds with environment. Considering several examples of hybrid framework materials with different structural…
We reveal that Hopf solitons can be stabilized in rotating atomic Bose-Einstein condensate. The Hopfion is a matter-wave vortex complex which carries two independent winding numbers. Such a topological solitonic structure results from a…
Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings has been studied by means of first principles calculations, based on the generalized-gradient approximation of the density functional…
Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically…
We have carried out a detailed study of the chemical bonding for two room-temperature stable platinum silicide phases, tetragonal alpha-Pt_2Si and orthorhombic PtSi. An analysis of the valence electronic charge density reveals surprising…
The bipolaron are two electrons coupled to the elastic deformations of an ionic crystal. We study this system in the Fr\"{o}hlich approximation. If the Coulomb repulsion dominates, the lowest energy states are two well separated polarons.…
We discuss the stability of the antiferromagnetic ground state in two spatial dimensions. We start with a general analysis, based on Gribov's current-conservation techniques, of the bosonic modes in systems with magnetic order. We argue…
We derive a hypervirial relation for the positronium ion, a three-body bound state of two electrons and a positron. It relates expectation values of three operators and reconciles two recently published, seemingly inequivalent formulas for…
Geometries and energies for H3+(H2)n clusters (n = 0, ..., 11) have been calculated using standard "ab initio" methods. Up to clusters with n = 6, four different Pople basis sets (DZ, TZ, TZP) have been used in the calculations. For larger…
We show that a multiply-quantized vortex line core can be energetically stable in a harmonically trapped two-component atomic Bose-Einstein condensate. The structure, in which the condensate component with the vortex line is surrounded by…
A long-standing problem to account for the electron-positron annihilation in positron Hydrogen scattering above the Positronium formation threshold has been resolved by the use of the three-body Faddeev formalism. The multichannel…
We examine the superconducting solution in the Holstein model, where the conduction electrons couple to the dispersionless Boson fields, using the Migdal-Eliashberg theory and Dynamical Mean Field Theory. Although different in numerical…
The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used…
In the present work, we revisit two-component Bose-Einstein condensates in their fully three-dimensional (3d) form. Motivated by earlier studies of dark-bright solitons in the 1d case, we explore the stability of these structures in their…
In this paper we report first-principles calculations on the ground-state electronic structure of two infinite one-dimensional systems: (a) a chain of carbon atoms and (b) a chain of alternating boron and nitrogen atoms. Meanfield results…
We present a many-body theory for exciton-trion-polaritons in doped two-dimensional materials. Exciton-trion-polaritons are robust coherent hybrid excitations involving excitons, trions, and photons. Signatures of these polaritons have been…
In this work, we present large-scale electron-correlated computations on various conformers of B$_{12}$H$_{12}$ and B$_{12}$H$_{6}$ clusters, to understand the reasons behind the high stability of di-anion icosahedron ($I_{h}$) and…
A novel Gaussian-Sinc mixed basis set for the calculation of the one-electron electronic structure within a uniform magnetic field in three dimensions is presented. The one-electron system is used to demonstrate the utility of this new…
We propose a state of excitonic solid for double layer two dimensional electron hole systems in transition metal dicalcogenides stacked on opposite sides of thin layers of BN. Properties of the exciton lattice such as its Lindemann ratio…
Ab initio perturbed ion plus polarization calculations are reported for doubly-charged nonstoichiometric (MgO)nMg2+ (n=1-29) cluster ions. We consider a large number of isomers with full relaxations of the geometries, and add the…