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A Hartree–Fock Calculation of the Geometry and Electronic Structure of an Al42Mn12Cluster

✍ Scribed by O. Yu. Boldenkov; Yu. S. Mitrokhin

Book ID
110300874
Publisher
SP MAIK Nauka/Interperiodica
Year
2001
Tongue
English
Weight
84 KB
Volume
27
Category
Article
ISSN
1087-6596

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An ab initio embedded-cluster approach to electronic structure calculations on crystalline solids, within the framework of the linear combination of atomic orbitals method, is presented. The solid is modelled as a central cluster embedded in the field created by its environment (rest of the infinite