𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Nonorthogonal radial orbitals for the configuration lnl

✍ Scribed by A. P. Jucys; K. V. Sabas; Z. J. Kupliauskis

Publisher
John Wiley and Sons
Year
1975
Tongue
English
Weight
759 KB
Volume
9
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The theory of treating the configuration n~0~l____n~1~l^N^n~2~l by means of nonorthogonal radial orbitals is described. The expressions for the matrix elements of the nonrelativistic Hamiltonian are deduced. A table that enables one to obtain these expressions in terms of radial integrals for l = 0 and 1 are given. Numerical calculations are performed for the configuration 1__s__^2^2__s__^2^2__p__3__p__ using generalized hydrogen‐like radial orbitals. The numerical values of the inter‐term energy differences are given and discussed.

πŸ“œ SIMILAR VOLUMES

The spin-orbit interaction in the config
The spin-orbit interaction in the configuration nlNn'l using nonorthogonal radial orbitals
✍ A. P. Jucys; K. V. Sabas; Z. J. Kupliauskis πŸ“‚ Article πŸ“… 1975 πŸ› John Wiley and Sons 🌐 English βš– 448 KB

## Abstract Formulas for the calculation of matrix elements of the simplified operator of the spin‐orbit interaction for the configuration __n__~1~__l__^__N__^__n__~2~__l__ are deduced for the case when radial orbitals are nonorthogonal. The coefficients of the radial integrals are tabulated for th

On the identification of symmetry-forbid
On the identification of symmetry-forbidden spin subspaces for configurations employing nonorthogonal orbitals
✍ Fabio E. Penotti πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 286 KB

The implications of orbital symmetry for a configuration's spin function are considered from the fairly general viewpoint required for multiconfiguration wave functions employing nonorthogonal orbitals. A general procedure is derived for the imposition of the spin constraints that may be necessary t