It is shown that information theory concepts based on the Shanon entropy are useful to define indices yielding a quantitative measure of spin polarization. Numerical results for the ground state of all the atoms from He ...

Simple correlated wavefunctions considering two K-shell active electrons of neutral atoms from He to Xe are presented in this paper, describing a variational method subject to a local Hartree potential representing the ...

Parts having excellent surface finishing and low dimensional tolerances characterize the investment casting. These characteristics are related to wax properties of copying details and reproducing the details by ceramic ...

The large Z Thomas-Fermi-Scott-Schwinger expansion for the total nonrelativistic binding energy of a neutral atom is used, together with the Bohr energy formula valid at Z = 1, to construct various Padé approximants among ...

Model compounds are used to study the metallophilic attraction between gold and copper atoms. Ab initio calculations on dimers and tetramers in different distributions of the simplified units are analyzed. An attraction ...

Pairwise additive potentials for multielectronic atoms interacting with a LiF(001) surface are revisited by including an improved description of the electron density associated with the different lattice sites, as well as ...