COMPREHENSIVE ANALYSTS OF THE FIRST THREE PERIODS OF THE ATOMIC SYSTEM
MetadataShow full item record
Publisher:Ohio State University
“The Hartree-Fock functions have been obtained for the isoelctronic series of the I, II, and III row of the periodic table with Z from 2 to 36. For the I and II row the ground state and excited states of the lowest electronic configuration are considered, but for the III row, only the ground state is considered. The 913 Hartree-Fock functions which we have computed have carefully optimized the orbital exponents and the basis sets were kept as small as needed for seven to eight figures accuracy in the total energy. The relativistic energies were computed from these functions by perturbation theory. The correlation energy was then obtained from these data by using experimental ionization potentials, with the above data. The ionization potentials the electron affinities, and the excitation energies can be predicted to complement the atomic tables given by Moore. In addition, the Slater’s screening constants are revised and new rules to compute the screening constants are given. Further, the atomic correlation energies which we have computed can be used to predict dissociation energies in molecules. A few examples about the method used to obtain dissociation energies will be given.”
Author Institution: IBM Research Laboratory
Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.