𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A program for nonempirical calculations for systems with open shells

✍ Scribed by T. É. Moskovskaya; V. I. Pupyshev; N. M. Vitkovskaya

Publisher
SP MAIK Nauka/Interperiodica
Year
1982
Tongue
English
Weight
96 KB
Volume
22
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Relativistic configuration interaction c
Relativistic configuration interaction calculations for open-shell atomic systems
✍ Konrad Koc; Yasuyuki Ishikawa; Takashi Kagawa 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 621 KB

A relativistic configuration interaction method, which can handle a general class of open-shell multiplets as the reference configurations, has been developed by combining the open-shell matrix Dirac-Fock self-consistent field algorithm implemented by Koc and Ishikawa [Phys. Rev. A 49 ( 1994) 7941 w

Coupled hartree–fock calculation of stat
Coupled hartree–fock calculation of static and shielding factors for open shell atomic systems
✍ A. Gupta; H. P. Roy; P. K. Mukherjee 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 335 KB

## Abstract In this paper a calculation of the static quadrupole polarizabilities and the shielding factors of the atoms and ions of the 2__p__ open shell systems is presented. A fully coupled Hartree–Fock method using the Roothaan formalism is adopted. Calculations have been done for the ground as

Scaled one-electron hamiltonian model fo
Scaled one-electron hamiltonian model for open-shell LCAO–MO–SCF calculations: Comparison with the restricted open-shell method of roothaan
✍ Manas Banerjee; Sankar Prasad Bhattacharyya 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 556 KB

## Abstract The performance of a recently proposed scaled one‐electron Hamiltonian (SOEH) model is tested against parallel sets of restricted open‐shell calculations by the method of Roothaan. It is found that the energy calculated by SOEH model, in general, lies slightly higher than the energy com