𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Dirac-Fock discrete-basis calculations on the beryllium atom

✍ Scribed by Yasuyuki Ishikawa; R.C. Binning Jr.; K.M. Sando


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
433 KB
Volume
101
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Comments on the basis spinors in Dirac-F
✍ Osamu Matsuoka πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 189 KB

It is noted that two kinds of basis spinors (the unified and the separated basis spinors) employed in Dirac-Fock-Roothaan calculations are equivalent. For large components of the basis spinors the separated basis spinors take simpler forms than the unified ones while for small components the reverse

On the optimization of gaussian basis se
✍ P.J.C. Aerts; W.C. Nieuwpoort πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 612 KB

Gaussian basis sets for atomic one-electron systems have been optimtzed by straight mmtmr~atron of the electronic ground-state eigenvalue of the finite basis set representation of the Dirac operator, using the "kinetic energy balance" procedure in conjunction with appropriate additional variational

Features of the energy surface in Dirac-
✍ Yasuyuki Ishikawa; R.C. Binning Jr.; K.M. Sando πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 363 KB

The features of the Be atom's energy surface as a function of basis set exponents in the Slater-type bas& have been exarniued for both "balanced" and "unbalanced" basis sets. The results clearly show that the "balanced" basis guarantees a mimmum energy which is an upper bound to the numerical Dim-Fo

Matrix Diracβ€”Fockβ€”Breit SCF calculations
✍ Yasuyuki Ishikawa; Gulzari L. Malli; A. Jim Stacey πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 349 KB

Matrix Dirac-Fock-Breit self-consistent field calcutations have been performed on heavy atoms up to Rn using large geometric basis sets of Gaussian-type functions. Results of the calculations on Yb, Hg, Pb and Rn are presented. For Hg, a number of Dirac-Fock-Breit calculations were performed in whic