𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The calculation of spin perturbations using the Hartree-Fock method

✍ Scribed by A. V. Luzanov; M. M. Mestechkin; Yu. B. Vysotskii

Publisher
SP MAIK Nauka/Interperiodica
Year
1971
Tongue
English
Weight
441 KB
Volume
12
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Perturbative calculation of the Hartree–
Perturbative calculation of the Hartree–Fock interaction energy using orthogonalized orbitals
✍ Vladimír Lukeš; Viliam Laurinc; Stanislav Biskupič 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 115 KB 👁 2 views

A many-body perturbation theory based on the partitioning of the dimer Hamiltonian, formulated in an orthogonalized basis set, is used for the calculation of Ž . Ž . interaction energies at the Hartree᎐Fock HF level. Numerical results for the HF and 2 Ž . H O systems in selected geometries are prese

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.