Descripción: This paper describes a matrix formulation for the correlated hole theory within the framework of the domain-averaged model in many electron systems (atoms, molecules, condensed matter, etc.). General relationships between this quantity and one-particle reduced density matrices for any independent particle or correlated state functions are presented. This formulation turns out to be suitable for computational purposes due to the straightforward introduction of cumulants of two-particle reduced density matrices within the quantum field structure. Numerical calculations in selected simple molecular systems have been performed in order to determine preliminary correlated values for such a quantity.

Descripción: In this work we investigate experimentally and theoretically angular distributions of swift multi-electronic atoms after colliding with a LiF(001) surface under axial surface channeling conditions. We use the surface eikonal approximation to describe the quantum interference of scattered projectiles. The atom-surface interaction is represented by means of a pairwise additive potential that includes the contribution of the projectile polarization. The aim is to use the experimental spectra to test the range of validity of the proposed potential model. © Published under licence by IOP Publishing Ltd.

Descripción: We present stopping power measurements of Zn for C and O ions and compare them with a theoretical description given by the Transport Cross Section - Extended Friedel Sum Rule (TCS-EFSR) for the valence electrons, and two different models for the inner-shells: the Shellwise Local Plasma Approximation (SLPA) and the CasP approach. The SLPA, which successfully applies to projectiles from H to B, is slightly high for C ions and clearly overestimates the data for O ions. On the other hand, total stopping results using the CasP description for the inner-shells show good agreement with the data for C and O ions, and also with the SRIM predictions. © Published under licence by IOP Publishing Ltd.

Descripción: Photoelectron emission spectra induced by grazing incidence of intense and ultrashort laser pulses on a metal surface are studied within a distorted-wave formalism. The proposed aproximation, named Band-Structure Based-Volkov (BSB-V) approach, includes a precise description of the surface potential, incorporating information of the band structure of the solid. Results are compared with the numerical solution of the time-dependent Schrodinger equation and with values derived from simpler theoretical models. © Published under licence by IOP Publishing Ltd.