𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Model potential method in As2 and As2 molecular calculations

✍ Scribed by Yoshitaka Watanabe; Yoshiko Sakai; Hiroshi Kashiwagi


Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
278 KB
Volume
120
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Molecular properties of Li2+ from model
✍ C.J. Cerjan πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 303 KB

Tile conszructive model potential approach of Bottcher and Daigarno is used in tie c~cui3tion of some molecular propcrtks of two electronic statcn, z '; nnd 'IT,, of Li: at several internuclear distances. The results agree well with ab initio calculations.

Model potential for As and LCGTO MP LSD
✍ Jan Andzelm; Nino Russo; Dennis R. Salahub πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 498 KB

Model potential parameters and basis sets are reported for the As atom. LCGTO MP LSD calculations employing both VWN and Xa potentials were performed for the As2 and As, molecules. For both molecules the geometrical and spectroscopic results are in very good agreement with the available experimental

Nonrelativistic and quasirelativistic mo
✍ M. Klobukowski πŸ“‚ Article πŸ“… 1983 πŸ› John Wiley and Sons 🌐 English βš– 802 KB

The major relativistic effects are included into the model potential (MP) method of Bonifacic and Huzinaga. The effects are incorporated on the level of Cowan and Griffin's relativistic Hartree-Fock (RHF) method. The model potential parameters are determined using the results of nonrelativistic Hart

The method of minimal representations in
✍ Beresford N. Parlett; Wee-Liang Heng πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 533 KB

We present a new method for approximating the partition function of 2D Ising models using a transfer matrix of order 2". For n=30 our current program took about 20 s on a Sparc station to obtain four correct decimals in the top two eigenvalues and 5 rain for six correct decimals. Eigenvectors were c