INFRARED SPECTRA OF CALCIUM PHOSPHATE GLASSES

Infrared absorption spectra of calcium phosphate glasses, x CaO ·(100-x) P 2 O 5 have been investigated by FT-IR spectroscopy. By increasing CaO content, the characteristic bands due to the stretching and bending vibrations were identified and analyzed. The deconvolution of each experimental spectrum was made using a Gaussian-type function. Based on this, the specific structural units of these glasses were identified.

The generator coordinate Dirac–Fock method applied to beryllium-like atomic species

The recently formulated generator coordinate Dirac–Fock method for relativistic closed-shell atoms is applied to the Be atom and Be-like ions Ne6+, Ar14+, and Sn46+ in order to assess its efficacy for light atomic systems. The Dirac–Fock equations are integrated numerically in the generator coordinate Dirac–Fock method so as to generate Gaussian basis sets for the atomic species under study. The results obtained with the application of the generator coordinate Dirac–Fock method in this work for Dirac–Fock–Coulomb and Dirac–Fock–Breit energies for Be-like ions are in excellent agreement with Declaux's benchmark numerical calculations, and are better than the Dirac–Fock–Coulomb and Dirac–Fock–Breit energies obtained with even-tempered Gaussian-type function calculations. For the Be atom, the Dirac–Fock–Coulomb energy result obtained with the generator coordinate Dirac–Fock method is lower than the corresponding value obtained with the Declaux's numerical finite-difference program. Key words: Dirac–Fock–Coulomb energy, Dirac–Fock–Breit energy, Gaussian basis sets, generator coordinate Dirac–Fock method.