All-electron Dirac—Fock—Roothaan calculations on lead oxide

This publication has 15 references indexed in Scilit:

• Relativistic self-consistent-field methods for molecules. III. All-electron calculations on diatomics HI, HI+, AtH, and AtH+
  The Journal of Chemical Physics, 1992
• Segmented contractions of relativistic Gaussian basis sets
  Chemical Physics Letters, 1992
• A comparative study of density functional models to estimate molecular atomization energies
  The Journal of Chemical Physics, 1990
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
  Physical Review B, 1988
• Relativistic configuration interaction calculations for several low-lying states of lead(II) oxide: comparison with chemiluminescent spectra
  The Journal of Physical Chemistry, 1983
• Self-interaction correction to density-functional approximations for many-electron systems
  Physical Review B, 1981
• The electronic structure and dipole moment function of PbO (X 1Σ+)
  The Journal of Chemical Physics, 1981
• An atomic multiconfigurational Dirac-Fock package
  Computer Physics Communications, 1980
• Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case
  The Journal of Chemical Physics, 1973
• Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120
  Atomic Data and Nuclear Data Tables, 1973