𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Combined Open Shell Hartree–Fock Theory of Atomic–Molecular and Nuclear Systems

✍ Scribed by I. I. Guseinov

Publisher
Springer
Year
2006
Tongue
English
Weight
128 KB
Volume
42
Category
Article
ISSN
0259-9791

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

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

Open-shell coupled-cluster theory applie
Open-shell coupled-cluster theory applied to atomic and molecular systems
✍ Azizul Haque; Uzi Kaldor 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 390 KB

The open-shell coupled-cluster method IS applied to 21 SIZG of C. 0, O2 and their ION\_ Only two-electron excitations (T2) are taken into account Good agreement with experiment (better than 0.2 eV) is obtamed for the ten excitation enerwes and seven of the eight ionization potentials cakulaled. tie

Coupled Hartree Fock calculation of stat
Coupled Hartree Fock calculation of static dipole polarizabilities and shielding factors of open shell systems
✍ A. Gupta; A. K. Bhattacharya; P. K. Mukherjee 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 442 KB

## Abstract Static dipole polarizabilities and shielding factors for the 2__p__ open shell atomic systems are presented using coupled Hartree Fock theory in the framework of the Roothaan formalism. Calculations have been performed for the ground as well as for some valence excited states. A variati