𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Different strategies of approach to the problem of local defects in crystals

✍ Scribed by C Pisani


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
724 KB
Volume
93
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Hartree-Fock perturbed-cluster treatment
✍ C. Pisani; F. CorΓ  πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 800 KB

This paper is the third of a series to illustrate the characteristics of EMBED, a computer program for the ab-initio Hartree-Fock study of defects in crystals. We describe here the algorithms which allow the symmetry of the imperfect crystal to be identified, and exploited thoroughly. Much of the di

Hartree-Fock perturbed-cluster treatment
✍ C. Pisani; S. Casassa; F. CorΓ  πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 733 KB

This paper is the second of a series to illustrate the characteristics of EMBED, a computer program for the ab-initio Hartree-Fock study of defects in crystals. The subjects are the energy-dependent coupling matrices M(e), which are a key quantity of the perturbed-cluster theory, since they are used