The use of slater orbitals in variational calculations involving oneelectron Green's functions
Abstract
The application of a minimum principle by Hall, Hyslop, and Rees is proposed for electronic systems. It is shown that the evaluation of the required two center molecular integrals involving one electron Green's functions may be facilitated by introduction of a particular class of trial functions. These functions incorporate the potential energy of the system as a weighting factor and Slatertype orbitals are then used as a basis set. The evaluation of the resulting integrals is discussed and illustrative calculations for the H2(+) ion are presented.
 Publication:

Unknown
 Pub Date:
 June 1975
 Bibcode:
 1975usov.rept.....B
 Keywords:

 Green'S Functions;
 Hydrogen Ions;
 Slater Orbitals;
 Variational Principles;
 Eigenvalues;
 Functions (Mathematics);
 Molecular Structure;
 Atomic and Molecular Physics