Accession Number:

AD0658037

Title:

THE GROUND STATE OF ATOMIC TWO-ELECTRON SYSTEMS IN THE INDEPENDENT PARTICLE MODEL,

Descriptive Note:

Corporate Author:

UPPSALA UNIV (SWEDEN) QUANTUM CHEMISTRY GROUP

Personal Author(s):

Report Date:

1967-07-01

Pagination or Media Count:

42.0

Abstract:

Scaled variational functions of the form Phi sub alphak e exp. -Z-1e exp. -alphakrkr, where Z is the nuclear charge and alpha is a parameter, and Phi sub betaalphak exp. -beta e exp -alphakrkr, where both alpha and beta are parameters, are used for the description of the ground state of atomic two-electron systems in the independent particle model. The scale factor k has been introduced in order to satisfy the virial theorem. Apart from the energy, a number of one-electron expectation values have been calculated and the results are compared with those obtained from other variational functions. The function Phi sub alphak yields already a good approximation to the Hartree-Fock solution whereas with the function Phi sub betaalphak the Hartree-Fock results are practically reproduced. Author

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy
  • Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE