The electron attachment equation of motion coupled cluster (EA‐EOMCC) method is derived
which enables determination of the various bound states of an (N+ 1)‐electron system and …

The first Nato Advanced Studies Institute entirely devoted to density functional theory was
held in Portugal in September 1983. The proceedings of this School, publis hed in early …

We discuss the correct expression for the classical electrostatic energy used while analysing
scanning probe microscopy (SPM) experiments if either a conducting tip or a substrate or …

A bond-pair model Hamiltonian developed previously for systems consisting of interacting
atoms is applied to describe atom-surface interactions. By proposing a mixed basis set …

We report density-functional calculations based on the use of an exchange-correlation
potential that depends nonlocally on the electron density at the surface and automatically …

We report a first-principles comparison between quasiparticle (QP) theory and density-
functional theory (DFT) at a jellium surface. Once long-range Coulomb correlations—which …

We derive the exact analytical asymptotic structure of the Kohn-Sham theory exchange
potential and thereby of the correlation potential at a semi-infinite jellium metal surface. The …

In this article we calculate the asymptotic structure of the exchange potential for the Fermi
level electron in the vacuum region outside a metal surface, and show it to be the image …

Electrons are confined within a metal and about its surface by a local effective potential as
described by Hohenberg-Kohn-Sham density-functional theory. The asymptotic structure of …

We evaluate the energy dependence of the imaginary part of the electron self-energy ImΣ in
the vicinity of a metal surface modeled with jellium via numerical calculations based on the …