A numerical Hartree-Fock program for diatomic molecules

This publication has 49 references indexed in Scilit:

• Vectorizable algorithm for the (multicolour) successive overrelaxation method
  Computer Physics Communications, 1994
• A block preconditioned conjugate gradient method for solving high-order finite element matrix equations
  Computer Physics Communications, 1988
• Ab initio calculations of the hyperfine coupling constants in fluorine(1-) using numerical wave functions
  The Journal of Physical Chemistry, 1988
• Very accurate correlated calculations on diatomic molecules with numerical orbitals: The hydrogen fluoride molecule
  Physical Review A, 1988
• Two-dimensional, fully numerical solutions of second-order Dirac equations for diatomic molecules. part 3
  Physica Scripta, 1987
• Fully numerical hartree-fock methods for molecules
  Computer Physics Reports, 1986
• Numerical hartree-fock methods for diatomic molecules: A partial-wave expansion approach
  Computer Physics Reports, 1986
• Local exchange‐correlation approximations and first‐row molecular dissociation energies
  International Journal of Quantum Chemistry, 1985
• Two‐Dimensional, fully numerical molecular calculations. IV. hartree–fock–slater results on second‐row diatomic molecules
  International Journal of Quantum Chemistry, 1985
• A numerical multiconfiguration self-consistent-field method for diatomic molecules
  The Journal of Chemical Physics, 1981