The atomic configuration interaction (CI) is reconsidered. We compare the algebraic and
geometric approaches to the construction of the CI matrix and point out advantages of the …

Recent progress in selected configuration interaction (CI) with truncation energy error (SCI-
TEE) is discussed together with applications. In molecular CI, we take up (i) preselection of …

Selected configuration interaction (SCI) for atomic and molecular electronic structure
calculations is reformulated in a general framework encompassing all CI methods. The …

A select-divide-and-conquer variational method to approximate configuration interaction (CI)
is presented. Given an orthonormal set made up of occupied orbitals (Hartree-Fock or …

A set of 432 energy-optimized Slater-type radial orbitals together with spherical harmonics
up to ℓ= 30 is used to approximate the corresponding full configuration interaction (CI) …

We perform valence, core-core, and core-valence nonrelativistic configuration-interaction
(CI) calculations on the states belonging to the 3 s 2 3 pn configuration with n= 2, 3, and 4 …

Abstract The Kohn-Sham effective potentials have been obtained for some light atoms.
Using as input good-quality Hartree-Fock and configuration interaction densities, we deduce …

State of the art configuration interaction (CI) techniques are used to obtain the best possible
nonrelativistic CI results for B+, B, and B− ground states using energy-optimized basis sets …

Double-electron capture by the impact of heavy projectiles on heliumlike atoms is studied
with a two-electron model. The process is here considered a two-step collision, which in the …

We discuss a modular and efficient FORTRAN program which operating on a given linear
combination of Slater determinants generates a spin eigenfunction by means of a symmetric …