Isospin basis for atoms in relativistic approximation
✍ Scribed by V. Č. Šimonis; J. M. Kaniauskas; Z. B. Rudzikas
- Book ID
- 104581195
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 317 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0020-7608
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📜 SIMILAR VOLUMES
A universal Gaussian basis set is developed for ab initio relativistic Dirac-Fock calculations on atoms and molecules. The results of the matrix Dirac-Fock-Coulomb and Dirac-Fock-Breit self-consistent field calculations using the universal Gaussian basis set are presented for the atoms, He (Z=2) thr
## Abstract Contracted Gaussian‐type function (CGTF) sets for the description of the 4__f__ subshell correlation and of the 6__s__ and 5__d__ subshell correlation are developed for lanthanide atoms from Ce to Yb. Also prepared are basis sets for the 5__d__ orbitals, which are vacant in the ground s
## Abstract For 14 actinide atoms from ~90~Th to ~103~Lr, contracted Gaussian‐type function sets are developed for the description of correlations of the 5__f__, 6__d__, and 7__s__ electrons. Basis sets for the 6__d__ orbitals are also prepared, since the orbitals are important in molecular environ