๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Perturbation method for the excited states of the Hartree-Fock operator

โœ Scribed by J. Sokoloff


Publisher
Elsevier Science
Year
1963
Weight
169 KB
Volume
7
Category
Article
ISSN
0031-9163

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Molecular symmetry. IV. The coupled pert
โœ Toshikazu Takada; Michel Dupuis; Harry F. King ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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

Hartree-Fock Energies of the Doubly Exci
โœ Prof. Dr. Th. M. El-Sherbini; Dr. H. M. Mansour; Dr. A. A. Farrag; Dr. A. A. Rah ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 201 KB

Hartree-Fock energies of the ls2 2s 2p ns(4P), ls2 2s 2p np(4P, 4D) and 1 ~2 2 s 2pnd(4P, 4D); n = 3--6 states in the boron isoelectronic sequence are reported. The results show a fairly good agreement with the experimental data of Bromander for 0 IV. Hartree-Fock-Energien der doppelt angeregten Niv

Perturbative calculation of the Hartreeโ€“
โœ Vladimรญr Lukeลก; Viliam Laurinc; Stanislav Biskupiฤ ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 115 KB ๐Ÿ‘ 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 ลฝ . ลฝ . interaction energies at the HartreeแސFock HF level. Numerical results for the HF and 2 ลฝ . H O systems in selected geometries are prese