Related papers: Statistical Analysis of $\sigma$-Holes: A Novel Co…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
We present an analytic ansatz to find the effective electrostatic potential and Coulomb correlations in multicenter problems, specifically homogeneous and doped clusters of metal atoms. The approach is based on a quasi-classical…
New mass regions unexcluded by direct searches are revealed by an analysis of experimental results from LEP1 using full 1-loop diagrammatic calculations of radiative corrections in the MSSM. Simulations of experimental signal efficiencies…
By going beyond Hubbard Hamiltonian we reflected correlation effects accurately in the wavefunctions of H2. Using ab initio e-e interaction parameters resulted maximally entangled ground and third excited states. We assigned this maximally…
The electronic correlations on a C$_{20}$ molecule, as described by an extended Hubbard Hamiltonian with a nearest neighbor Coulomb interaction of strength $V$, are studied using quantum Monte Carlo and exact diagonalization methods. For…
Hybrid organic-inorganic perovskites are exceedingly interesting candidates for new solar energy technologies, for both ground-based and space applications. However, their large-scale production is hampered by the lack of long-term…
We first argue that the covalent bond and the various closed-shell interactions can be thought of as symmetry broken versions of one and the same interaction, viz., the multi-center bond. We use specially chosen molecular units to show that…
Hydrogen bond is often assumed to be a purely electrostatic interaction between a electron-deficient hydrogen atom and a region of high electron density. Here, for the first time, we directly image hydrogen bond in real space by…
Collisions of polar $^{1}\Sigma$ state molecules at ultralow energies are considered, within a model that accounts for long-range dipole-dipole interactions, plus rotation of the molecules. We predict a substantial suppression of…
We introduce the concept of entanglement halos, a set of strongly entangled distant sites within the ground state of a quantum many-body system. Such halos emerge in star-like systems with exponentially decaying couplings, as we show using…
We study two-dimensional sigma-hole systems in boron layers by calculating the electronic structures of Mg_{1-x}Na_xB_2 and Mg_{1-x}Al_xB_2. In Mg_{1-x}Na_xB_2, it is found that the concentration of sigma holes is approximately described by…
A BCS-like variational wave-function, which is exact in the infinite field limit, is used to study the interplay among Zeeman energies, lateral confinement and particle correlations induced by the Coulomb interactions in strongly pumped…
We study thermodynamic properties of spatially separated electron-hole plasma in double-layered systems using Green function formalism. The screening of the Coulomb interaction is considered in the framework of Thomas-Fermi approximation,…
The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-GGA…
We introduce a number of techniques in quantitative convergent-beam electron diffraction under development by our group and discuss the basis for measuring interatomic electrostatic potentials (and therefore also electron densities),…
The spin-dependent components of the fundamental hyperon-nucleon interactions are largely unknown. We show that under reasonable assumptions, a measurement of the $\Sigma^+ p$ correlation function in high-energy proton-proton or heavy-ion…
Composite Higgs Models explore the possibility that the Higgs boson is an excitation of a new strongly interacting sector giving rise to electro-weak symmetry breaking. After describing how this new sector can be embedded into the Standard…
The physics of isolated plasma potential structures sustained by a deficit of phase-space density on trapped orbits, commonly known as electron or ion holes, is reviewed. The principles of their equilibria are explained and illustrated, and…
I review the idea of realizing the Higgs as a composite pseudo-Nambu-Goldstone boson of a new strongly-interacting sector and collect major constraints on the parameter space of minimal models. Besides limits from electroweak precision…
Conjugated polymers are observed to aggregate in solution. To account for this observation we propose a inter-chain binding mechanism based on the intermolecular tunneling of the delocalized $\pi$-electrons occurring at points where the…