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Self-interaction Free Relativistic Spin-density Functional Theory

✍ Scribed by Ködderitzsch, D.; Ebert, H.; Engel, E.; Akai, H.


Book ID
120559179
Publisher
Oldenbourg Wissenschaftsverlag
Year
2010
Tongue
German
Weight
531 KB
Volume
224
Category
Article
ISSN
0942-9352

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