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Development of the cyclic cluster approach for ionic systems

✍ Scribed by Thomas Bredow; Gerald Geudtner; Karl Jug

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
255 KB
Volume
22
Category
Article
ISSN
0192-8651

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Ionic materials can be conveniently described by quantum mechanical cluster models. In these models the electrostatic field of the crystal surrounding is often Ε½ . taken into account by embedding the cluster in an array of point charges PCs . However, anions at the cluster boundary can be strongly p