In the condensed phase, quantum chemical properties such as many-body effects and intermolecular charge fluctuations are critical determinants of the solvation structure and dynamics.
AbstractThe presence of strong interactions in a many-body quantum system can lead to a variety of exotic effects. Here we show that even in a comparatively simple setup consisting of a charged impurity in a weakly interacting bosonic medium the competition of length scales gives rise to a highly correlated mesoscopic state. Using quantum Monte Carlo simulations, we unravel its vastly different polaronic properties compared to neutral quantum impurities. Moreover, we identify a transition between the regime amenable to conventional perturbative treatment in the limit of weak atom-ion interactions and a many-body bound state with vanishing quasi-particle residue composed of hundreds of atoms. In order to analyze the structure of the corresponding states, we examine the atom-ion and atom-atom correlation functions which both show nontrivial properties. Our findings are directly relevant to experiments using hybrid atom-ion setups that have recently attained the ultracold regime.
Van der Waals interaction is an elusive many-body effect arising from instantaneous charge fluctuations. Fundamental understanding of this effect plays an important role in computational chemistry, physics and materials science. In this article, recent advances in the evaluation of van der Waals coefficients, in particular the higher-order ones, are reviewed.