Related papers: Dissociative electron attachment to the H2O molecu…
We report benchmark results for one-dimensional (1D) atomic and molecular systems interacting via the Coulomb operator $|x|^{-1}$. Using various wavefunction-type approaches, such as Hartree-Fock theory, second- and third-order…
The cross sections are calculated for the both elastic and inelastic scattering of 6He from 12C and 4He. A phenomenological optical potential is used to describe the elastic scattering. 4He is taken as spherical and inelastic couplings to…
Exploring the molecular fragmentation dynamics induced by low-energy electrons offers compelling insights into the complex interplay between the projectile and target. In this study, we investigate the phenomenon of dissociative electron…
We investigated the effect of deuteration on the vibrational ground state of the hydrated hydroxide anion using a nine-dimensional quantum dynamical model for the case of J=0. The propagation of the nuclear wave function has been performed…
We study generation of non-local correlations by atomic interactions in a pair of bi-modal Bose-Einstein Condensates in state-dependent potentials including spatial dynamics. The wave-functions of the four components are described by…
Water clusters embedding a nitric acid molecule HNO3(H2O)_{n=1-10} are investigated via electrostatic deflection of a molecular beam. We observe large paraelectric susceptibilities that greatly exceed the electronic polarizability,…
We develop a linearly-scaling variant of the Force Coupling Method [K. Yeo and M. R. Maxey, J. Fluid Mech. 649, 205-231 (2010)] for computing hydrodynamic interactions among particles confined to a doubly-periodic geometry with either a…
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…
The nuclear landscape has been investigated within the triaxial relativistic Hartree-Bogoliubov theory with the PC-PK1 density functional, and the beyond-mean-field dynamical correlation energies are taken into account by a microscopically…
One-dimensional (1D) quantum systems are a cornerstone of many-body physics. However, their realization in solids has traditionally relied on top-down methods, which are limited by structural disorder and coarse confinement. Here, we…
In this work we devise a theoretical and computational method to compute the elastic scattering of electrons from a non-spherical potential, such as in the case of molecules and molecular aggregates. Its main feature is represented by the…
Systematic investigations of the electric dipole (E1) modes of excitation are performed using the canonical-basis time-dependent Hartree-Fock-Bogoliubov (Cb-TDHFB) theory. The Cb-TDHFB is able to describe dynamical pairing correlations in…
The inelastic scattering of fast electrons by metastable hydrogen atoms in the presence of a linearly polarized laser field is theoretically studied in the domain of moderate field intensities. The interaction of the hydrogen atom with the…
Aluminum nanocrystals offer a promising platform for plasmonic photocatalysis, yet a detailed understanding of their electron dynamics and consequent photocatalytic performance has been challenging thus far due to computational limitations.…
Electrohydrodynamics is crucial in many nanofluidic and biotechnological applications. In such small scales, the complexity due to the coupling of fluid dynamics with the dynamics of ions is increased by the relevance of thermal…
We consider the dynamics of a periodic chain of N coupled overdamped particles under the influence of noise, in the limit of large N. Each particle is subjected to a bistable local potential, to a linear coupling with its nearest…
The interaction of water with $\alpha$-alumina (i.e. $\alpha$-Al$_{2}$O$_{3}$ surfaces is important in a variety of applications and a useful model for the interaction of water with environmentally abundant aluminosilicate phases. Despite…
Extending density functional theory (DFT) to an {\it ab initio} orbital functional theory (OFT) requires new methodology for nonlocal exchange and correlation potentials. This paper describes such modifications to a standard Dirac-Slater…
Dissociative recombination of N$_2$H$^+$ is explored in a two-step theoretical study. In a first step, a diatomic (1D) rough model with frozen NN bond and frozen angles is adopted, in the framework of the multichannel quantum defect theory…
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…