𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Error bound for the Hartree-Fock energy of atoms and molecules

✍ Scribed by Volker Bach


Publisher
Springer
Year
1992
Tongue
English
Weight
904 KB
Volume
147
Category
Article
ISSN
0010-3616

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Improved uncoupled Hartree–Fock (IUCHF)
✍ H. Vogler 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 263 KB

## Abstract Different kinds of improved uncoupled Hartree–Fock methods are proposed for the calculation of second‐order perturbation energies. Using these methods inequalities are derived for the error of the uncoupled procedure with geometric approximation.

One-Parameter double-zeta atomic functio
✍ I. László 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 294 KB

## Abstract The double‐zeta atomic functions are characterized by the nuclear charge __z__ of the two‐electron atomic system. The Hartree–Fock total energies and the corresponding orbital energies are calculated using various atomic wave functions for the helium isoelectronic sequence. The expectat