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On Electronic Structure of Interacting Solitons with Impurities in Polyacetylene

✍ Scribed by B. R. Bulka


Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
144 KB
Volume
118
Category
Article
ISSN
0370-1972

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## Abstract A theoretical approach to the study of both, the energy of a hydrogen impurity in a metal and the metal‐hydrogen impurity interaction is described. The analysis involves the virial and Hellmann Feynman theorems and the Kohn‐Sham formalism. Detailed calculations are performed for the cas