Abstract
The Hartree-Fock equations for a general open shell atom are described. The matrix equations that result when the single particle orbitals are written in terms of a linear combination of analytic basis functions are derived. Attention is paid to the complexities that occur when open shells are present. The specifics of a working FORTRAN program which is available for public use are described. The program has the flexibility to handle either Slater-type orbitals or Gaussian-type orbitals.
| Original language | English |
|---|---|
| Pages (from-to) | 973-997 |
| Number of pages | 25 |
| Journal | Australian Journal of Physics |
| Volume | 52 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - 1999 |