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Hartree-Fock perturbed-cluster treatment of defects in crystals V. The overlap correction in relaxation studies

✍ Scribed by C. Pisani; F. Corà

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
415 KB
Volume
82
Category
Article
ISSN
0010-4655

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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