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Approaching the Hartree–Fock limit by perturbative methods

✍ Scribed by Deng, Jia; Gilbert, Andrew T. B.; Gill, Peter M. W.

Book ID
121259627
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
356 KB
Volume
130
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES

Molecular symmetry. IV. The coupled pert
Molecular symmetry. IV. The coupled perturbed Hartree–Fock method
✍ Toshikazu Takada; Michel Dupuis; Harry F. King 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 526 KB

Symmetry methods employed in the ab initio polyatomic program HONDO are extended to the coupled perturbed Hartree-Fock (CPHF) formalism, a key step in the analytical computation of energy first derivatives for configuration interaction (CI) wavefunctions, and energy second derivatives for Hartree-Fo

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.