Hartree–Fock and Gordon–Kim interaction potentials for scattering of closed-shell molecules by atoms: (H2CO,He) and (H2,Li+)

Accurate and stable numerical Hartree–Fo

Accurate and stable numerical Hartree–Fock calculations for atoms. I. The 1s2 ground state of H−, He, Li+, and Be++

✍ C. J. Clemens Roothaan; George A. Soukup 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 648 KB

## Abstract New techniques have been developed for atomic self‐consistent‐field calculations by numerical integration. For the origin and tail regions we present analytical expansions which can represent the solutions to high accuracy. For the numerical integration in the central region a five‐poin