Variationiteration solution of the HartreeFock equations for atomic systems
Abstract
A recently proposed scheme based on the variationiteration method was applied to the solution of the HartreeFock equations for atomic systems. The procedure depends on the repeated application of a Green's integral operator which involves a single numerical quadrature at each stage. The integrations are performed by means of a prescription described in a recent paper by the present authors and it is shown that the parallel philosophies of the selfconsistent field and the variationiteration approaches combine quite naturally. Representative calculations were carried out on three and four electron systems; first, the 1 S ground state of the beryllium atom corresponding to the configuration 1s2 2s2 and, second, the 2 S ground state of lithium was treated and the flexibility of the proposed scheme demonstrated by considering solutions of various forms of the SCF (Self Consistent Field) equation.
 Publication:

Unknown
 Pub Date:
 September 1976
 Bibcode:
 1976vish.rept.....B
 Keywords:

 Atomic Structure;
 Hartree Approximation;
 Iterative Solution;
 Beryllium;
 Eigenvalues;
 Electron Orbitals;
 Electron Transitions;
 Green'S Functions;
 Lithium;
 Operators (Mathematics);
 Atomic and Molecular Physics