Related papers: Charge centers in CaF$_2$: Ab initio calculation o…
Electrical charging of metal surfaces due to photoelectric generation of carriers is of concern in trapped ion quantum computation systems, due to the high sensitivity of the ions' motional quantum states to deformation of the trapping…
The periodic changes in physical and chemical properties of the chemical elements is caused by the periodic change of the ionization energies. The ionization energy of each element is constant and this manifests itself in the periodic…
We study the ground state ordering and interactions between two two-dimensional Wigner crystals on neutralizing charged plates by means of computer simulation. We consider crystals formed by (i) point-like charges and (ii) charged dimers,…
We present lattice results for the ground state energies of tritium, helium-3, helium-4, lithium-6, and carbon-12 nuclei. Our analysis includes isospin-breaking, Coulomb effects, and interactions up to next-to-next-to-leading order in…
We investigate the ground state of a one-dimensional lattice system that hosts two different kinds of excitations (species) which interact with a power-law potential. Interactions are only present between excitations of the same kind and…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…
Minimum total energy calculations, which account for both electron--lattice and electron--electron interactions in conjugated polymers are performed for chains with up to eight carbon atoms. These calculations are motivated in part by…
This article describes our hypothesis on how transmutations may be induced by solid state effects in a crystalline lattice. We discuss the chemical reaction case, our extension to the nuclear binding case, and a tri-body model of a heavy…
Combined effects of electron correlations and lattice distortions are investigated on the charge ordering in \theta-(BEDT-TTF)2RbZn(SCN)4 theoretically in a two-dimensional 3/4-filled extended Hubbard model with electron-lattice couplings.…
Highly excited eigenstates of atoms and ions with open f shell are chaotic superpositions of thousands, or even millions of Hartree-Fock determinant states. The interaction between dielectronic and multielectronic configurations leads to…
One-electron energy levels are studied for a configuration of two positive charges inside an octahedral cage, the vertices of the cage being occupied by atoms with a partially filled shell. Although ground states correspond to large…
The possibility is considered for the formation in optical lattices of a heterogeneous state characterized by a spontaneous mesoscopic separation of the system into the spatial regions with different atomic densities. It is shown that such…
Within the framework of the lattice-statics and static fluctuation-wave methods, the available energies of strain-induced interaction of interstitial-interstitial, interstitial-substitutional and substitutional-substitutional impurity…
Photosynthesis powers life on our planet. The basic photosynthetic architecture comprises antenna complexes to harvest solar energy and reaction centers to convert the energy into a stable charge separated state. In oxygenic photosynthesis,…
We address the problem posed by the inhomogeneous trapping fields when using ultracold fermions to simulate strongly correlated electrons. As a starting point, we calculate the density of states for a single atom. Using semiclassical…
Adsorbed gases within, or outside of, carbon nanotubes may be analyzed with an approximate model of adsorption on lattice sites situated on a cylindrical surface. Using this model, the ground state energies of alternative lattice structures…
In organic solar cells, photogenerated singlet excitons form charge transfer (CT) complexes, which subsequently split into free charge carriers. Here, we consider the contributions of excess energy and molecular quadrupole moments to the…
Here we investigate ground and metastable negative ion formation in low-energy electron collisions with the actinide atoms Th, Pa, U, Np and Pu through the elastic total cross sections (TCSs) calculations. For these atoms, the presence of…
The observability of the Hofstadter spectrum generated by a Wigner crystal using photoluminescence techniques is studied. Itinerant hole geometries are examined, in which a hole may combine directly with electrons in the lattice. It is…
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…