Related papers: Characterization of agostic interactions in theory…
Measurements of interactions between cold molecules and ultracold atoms can allow for a detailed understanding of fundamental collision processes. These measurements can be done using various experimental geometries including where both…
We present quantum-theoretical studies of collisions between an open-shell S-state atom and a ^2Pi-state molecule in the presence of a magnetic field. We analyze the collisional Hamiltonian and discuss possible mechanisms for inelastic…
We study the dynamics of the non-classical correlations for few atom systems in the presence of strong interactions for a number of recently developed adiabatic state preparation protocols. We show that entanglement can be created in a…
Correlation computations on multiband Hubbard Hamiltonians are presented. It is shown why the proper degeneracy is of vital importance and that the atomic exchange interaction plays a particular role. The different methods are connected,…
We present a simplified version of the atomic dark matter scenario, in which charged dark constituents are bound into atoms analogous to hydrogen by a massless hidden sector U(1) gauge interaction. Previous studies have assumed that…
Adiabatic connection models (ACMs), which interpolate between the limits of weak and strong interaction, are powerful tools to build accurate exchange-correlation functionals. If the exact weak-interaction expansion from second-order…
We theoretically characterize interactions, energetics, and chemical reaction paths in ionic two-body and three-body systems of alkali-metal and alkaline-earth-metal atoms in the context of modern experiments with cold hybrid ion-atom…
Conical intersections (CI) between molecular potential energy surfaces with non-vanishing non-adiabatic couplings generally occur in any molecule consisting of at least three atoms. They play a fundamental role in describing the molecular…
Chemical bonding is the stabilization of a composite molecular system caused by different interactions in and between the subsystems, among the strong kinds of bonding is covalent bonding especially important. Characteristic for covalent…
Our understanding of correlated electron systems is vexed by the complexity of their interactions. Heavy fermion compounds are archetypal examples of this physics, leading to exotic properties that weave together magnetism,…
Gas accretion from both the circum-galactic medium (CGM)/inter-galatic medium (IGM) and interacting companion galaxy can dilute the gas phase metallicity of a galaxy. However, their relative contribution to the chemical evolution of…
Intermolecular features in atomic force microscopy (AFM) images of organic molecules have been ascribed to intermolecular bonds. A recent theoretical study [P. Hapala et al., Phys. Rev. B 90, 085421 (2014)] showed that these features can…
Except for small molecules, it is impossible to solve many electrons systems without imposing severe approximations. If the configuration interaction approaches (CI) or Coupled Clusters techniques \cite{FuldeBook} are applicable for…
Different types of superfluid ground states have been investigated in systems of two species of fermions with Fermi surfaces that do not match. This study is relevant for cold atomic systems, condensed matter physics and quark matter. In…
Intramolecular symmetry-adapted perturbation theory (ISAPT) is a method to compute and decompose the noncovalent interaction energy between two molecular fragments A and B connected via a linker C. The existing ISAPT algorithm displays…
We consider atomistic systems consisting of interacting particles arranged in atomic lattices whose quasi-static evolution is driven by time-dependent boundary conditions. The interaction of the particles is modeled by classical interaction…
The electrostatic interaction between two non-identical, moderately charged colloids situated in close proximity of each other at a fluid interface is studied. By resorting to a well-justified model system, this problem is analytically…
The incorporation of a strong interaction regime within the approximate, semilocal exchange-correlation functionals still remains a very challenging task for density functional theory. One of the promising attempts in this direction is the…
A continuous infinite system of point particles interacting via two-body strong superstable potential is considered in the framework of classical statistical mechanics. We define some kind of approximation of main quantities, which describe…
We demonstrate the approach towards a Gibbs-like equilibrium state, with a common temperature and a chemical potential, of two finite metallic grains, prepared with a different number of noninteracting electrons, connected by a weak link…