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The effects of a long range electronic potential on a one dimensional chain of spinless fermions are investigated by numerical techniques (Exact Diagonalisation of rings with up to 30 sites complemented by finite size analysis) and analytic…
We investigate the electronic structure of a Kondo lattice system, CeCuSb2 exhibiting significant mass enhancement and Kondo-type behavior. We observe multiple features in the hard x-ray photoemission spectra of Ce core levels due to strong…
Electronic structure and transport properties of the fullerene C$_{82}$ and the metallofullerene Gd@C$_{82}$ are investigated with density functional theory and the Landauer-Buttiker formalism. The ground state structure of Gd@C$_{82}$ is…
We investigate the phenomenology of Composite 2-Higgs Doublet Models (C2HDMs) of various Yukawa types based on the global symmetry breaking $SO(6)\to SO(4)\times SO(2)$. The kinetic term and the Yukawa Lagrangian are constructed in terms of…
Systems containing the ideal kagome lattice can exhibit several distinct and novel exotic states of matter. One example of such systems is a recently discovered $A$V$_{3}$Sb$_{5}$ ($A$ = K, Rb, and Cs) family of compounds. Here, the…
Spatially separated electron systems remain strongly coupled by electron-electron interactions even when they cannot exchange particles, provided that the layer separation d is comparable to a characteristic distance l between charge…
We investigate the dimerization and fusion of C60 molecules to form various C60 dimers when pushed against each other at several inter-molecular distances. We study the stability of this dimerized C60 molecule based on its binding strength…
The inelastic scattering of electrons on weakly-bound nuclei is studied with a simple model based on the long range behavior of the bound state wavefunction and on the effective-range expansion for the continuum wavefunctions. Three…
We present constraints on the deuterium to hydrogen ratio (D/H) in the metal-poor gas cloud at redshift $z=0.701$ towards QSO 1718+4807. We use new Keck spectra in addition to Hubble Space Telescope (HST) and International Ultraviolet…
The complex band structure of an isolated polyethylene chain is calculated within Density Functional Theory (DFT). A plane wave basis and ultrasoft pseudopotentials are used. The results are compared with those obtained via a local basis…
We report a comprehensive electronic structure investigation of the paramagnetic (PM), the large moment antiferromagnetic (LMAF), and the hidden order (HO) phases of URu$_2$Si$_2$. We have performed relativistic full-potential calculations…
With the one-boson-exchange model, we study the interaction between the S-wave $D^{(*)}/D^{(*)}_s$ meson and S-wave $B^{(*)}/B^{(*)}_s$ meson considering the S-D mixing effect. Our calculation indicates that there may exist the $B_c$-like…
A two-electron one-dimensional model of a heteroatomic molecule composed of two open-shell atoms is considered. Including only two electrons isolates and examines the effect that the highest occupied molecular orbital has on the Kohn-Sham…
We numerically study the ground state properties of endohedrally confined hydrogen (H) or helium (He) atom by a molecule of C$_{60}$. Our study is based on Diffusion Monte Carlo method. We calculate the effects of centered and small…
LaRh$_3$B$_2$ crystallizes in a layered structure where Rh atoms form a perfect Kagome lattice. The material shows superconductivity at $T_c \approx 2.6$~K\@ and no signature for density wave instabilities. We report our measurements of…
The two-dimensional electron system (2DES) is a unique laboratory for the physics of interacting particles. Application of a large magnetic field produces massively degenerate quantum levels known as Landau levels. Within a Landau level the…
The title material has a quasi-one-dimensional electronic structure and is of considerable interest because it has a metallic phase with properties different from a simple Fermi liquid, a poorly understood "insulating" phase, and a…
Lithium - the lightest alkali metal - exhibits unexpected structures and electronic behaviour at high pressures. As the heavier alkalis, Li is bcc at ambient pressure and transforms first to fcc (at 7.5 GPa). The post-fcc high-pressure form…
We introduce a system-independent method to derive effective atomic C$_6$ coefficients and polarizabilities in molecules and materials purely from charge population analysis. This enables the use of dispersion-correction schemes in…
We consider an electronic bound state of the usual, non-relativistic, molecular Hamiltonian with Coulomb interactions and fixed nuclei. Away from appropriate collisions, we prove the real analyticity of all the reduced densities and density…