General Hartree-Fock program. Nature of problem: Numerical non-relativistic Hartree-Fock wavefunctions are determined for atoms in a bound state. These are used to predict a variety of atomic parameters. Solution method: The self-consistent field method of solution is employed. Two methods of solution of the differential equations are used, each improving only a single function at a time (Comp. Phys. Commun. 15(1977)221), and rotations are introduced explicitly to find an energy stationary with respect to a rotation of the orbital basis. Otherwise the procedures are essentially the same as those in MCHF77 (Comp. Phys. Commun. 14(1978)145).
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References in zbMATH (referenced in 7 articles )
Showing results 1 to 7 of 7.
- Cinal, M.: Highly accurate numerical solution of Hartree-Fock equation with pseudospectral method for closed-shell atoms (2020)
- Fischer, Charlotte Froese: A B-spline Hartree-Fock program (2011)
- Bogdanovich, P.; Rancova, O.: Quasirelativistic approach for ab initio study of highly charged ions (2008)
- Parpia, F. A.; Fischer, C. Froese; Grant, I. P.: GRASP92: a package for large-scale relativistic atomic structure calculations (2006)
- Bogdanovich, P.; Karpuškienė, R.: Numerical methods of the preliminary evaluation of the role of admixed configurations in atomic calculations (2001)
- Hibbert, A.: Charlotte Froese Fischer -- some personal reflections (2001)
- Froese Fischer, Charlotte: The MCHF atomic-structure package (2000)