𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the Hartree-Fock approximation to the electronic structure of molecule in the intense radiation field and the strong vibronic coupling

✍ Scribed by Yoshihiro Asai; Tokio Yamabe; Kenichi Fukui


Publisher
Springer
Year
1988
Tongue
English
Weight
377 KB
Volume
73
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


An all-electron Hartree—Fock investigati
✍ Irene Shim; Karl A. Gingerich 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 547 KB

In the present imestigation u e present all-electron ab initio Hartree-Fock (HF) calculations of the three low-lying electronic sr.nes '2. 'X+\_ and '11 resulting from rhe interaction between an yttrium atom in the 'D4d'5s2 term and a p&sdium atcJm in the 'S Id" term. The basis sets used xxers of do

Self-consistent embedded-cluster calcula
✍ N. C. Amaral; B. Maffeo; Diana Guenzburger 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 655 KB

## Abstract Molecular orbital calculations are performed for clusters representing the CaF~2~, SrF~2~, and BaF~2~ ionic crystals. The discrete variational method is employed, with the Xα approximation for the exchange interaction; a detailed investigation of different models for embedding the clust

The electronic structure of 2∑+ boron mo
✍ John R. Ball; Colin Thomson 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 675 KB

The electronic structure cf 'X3+ BS has been investigated by ab-initio SCF crilculations using both GTO and ST0 basis sets. The computed bond length and hyperfine coupling constants are compared uVith experimental data. ## I. Jntroduction Boron monosulphide (BS) is one of the few diatomic radical