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Semi-classical limit theorems for Hartree-Fock theory

✍ Scribed by Joseph G. Conlon

Book ID
105117847
Publisher
Springer
Year
1983
Tongue
English
Weight
910 KB
Volume
88
Category
Article
ISSN
0010-3616

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📜 SIMILAR VOLUMES

Bounds for Hartree-Fock perturbation the
Bounds for Hartree-Fock perturbation theory
✍ B. L. Burrows 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 345 KB

## Abstract Upper and lower bounds for the second‐order energy in both coupled and uncoupled Hartree‐Fock perturbation theories are derived. Using these bounds inequalities are derived for the error in the geometric approximation.

Hartree-Fock theory for negative ions
Hartree-Fock theory for negative ions
✍ Reinhart Ahlrichs 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 480 KB

It is shawn that HF computations which yield ei > 0 for an occupied hICl do not minimize the HF energy. Ifei > 0, which frequently occurs in the RHF treatment of negative ions, ome can reduce c; to zero and simultaneously lower ~'FIF by an appropriate admixture of a continuum func!ion to the corresp