Related papers: Computational Consequences of Neglected First-Orde…
We introduce a novel computational approach for the investigation of complex correlated electron materials which makes it possible to evaluate interatomic forces and thereby determine atomic displacements and structural transformations…
A quantum electrodynamic calculation of the interaction of an excited-state atom with a ground-state atom is performed. For an excited reference state and a lower-lying virtual state, the contribution to the interaction energy naturally…
We study energy and particle transport for one-dimensional strongly interacting bosons through a single channel connecting two atomic reservoirs. We show the emergence of particle- and energy- current separation, leading to the violation of…
We study second-order electromagnetic perturbations in the Schwarzschild background and derive the effective source terms for Regge-Wheeler equation which are quadratic in first-order gravitational and electromagnetic perturbations. In…
We commence our study with review of dispersion interactions in electrolytes. We then reflect on how background media change atom-atom excited-state systems. To highlight the impact of nonlocal media, such as salt solutions, we predict that…
A non-expanded theory is used for dispersion potentials between atoms and ions dissolved in a medium. The first-order dispersion interaction between two atoms in an excited state must account for the fact that the two atoms are coupled via…
We consider non-relativistic electron correlation energies of heavy noble gas atoms including the superheavy element Og. The corresponding data enables us to quantify fixed-node errors in real space quantum Monte Carlo methods as a function…
We present a theoretical study of van der Waals interaction forces in disordered linear molecule chains. We demonstrate that the interaction energy strongly and nonmonotonously depends on the disorder correlation length. Semianalytical…
We use a set of Monte Carlo simulations to follow the cascade produced by a primary electron of energy E_in in the intergalactic medium. We choose E_in=3-10 keV as expected from the decay of one of the most popular Warm Dark Matter (WDM)…
Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, "replica" ensemble of walkers, whose population evolves in…
The absorption sites and the low-lying rotational and vibrational (RV) energy states for H$_2$ adsorbed within a metal-organic framework are calculated via van der Waals density functional theory. The induced dipole due to bond stretching…
The computation of radiative energy loss in a finite size QCD medium with dynamical constituents is a key ingredient for obtaining reliable predictions for jet quenching in ultra-relativistic heavy ion collisions. We here present a…
We calculate the van der Waals dispersive interaction between a neutral but polarizable atom and a perfectly conducting isolated sphere in the nonretarded case. We make use of two separate models, one being the semiclassical…
We show several examples were the tensor interaction of the lowest order G matrix in a nucleus is too strong. The examples include the quadrupole moment of $^{6}$Li, the isosplitting of the lowest 0$^{-}$ states in $^{16}$O, the near…
Binding energies of the $^3P_0$ and $^3P_2$ levels of the $1s^2\,2s\,2p$ electron configuration in berylliumlike xenon are rigorously evaluated using ab initio QED approach. All relevant one- and many-electron QED contributions are…
We investigate the dynamics of a gas of non-interacting particle-like soliton waves, demonstrating that phase transitions originate from their collective behavior. This is predicted by solving exactly the nonlinear equations and by…
In a recent work [Phys. Rev. Lett. 98, 023004 (2007)] we have investigated the influence of attractive van der Waals interaction on the pair distribution and Penning ionization dynamics of ultracold Rydberg gases. Here we extend this…
We consider the energy release associated with first-order transition by Gibbs construction and present such energy release as an accumulation of a series of tiny binding energy differences between over-compressed states and stable ones.…
This contribution briefly reviews some recent work demonstrating the partial breakdown of the colloidal fluid <--> atomic fluid analogy. The success of liquid state theory for atomic fluids stems in part from the van der Waals picture,…
The term "long-range interactions" refers to electrostatic and magnetostatic potential energies between atoms and molecules with mutual distances ranging from a few tens to a few hundreds Bohr radii. The involved energies are much smaller…