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Excited states, perturbation theory, and the stability problem in the restricted hartree-fock method for open shells

✍ Scribed by M. M. Mestechkin; G. E. Vaiman; G. T. Klimko

Book ID
112360585
Publisher
Springer
Year
1984
Tongue
English
Weight
757 KB
Volume
20
Category
Article
ISSN
0040-5760

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Improved uncoupled Hartree–Fock (IUCHF)
Improved uncoupled Hartree–Fock (IUCHF) perturbation methods and bounds for the second-order energy in coupled Hartree–Fock perturbation theory
✍ 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.