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Ab initio polarizabilities calculations of singly charged polyacetylene oligomers

โœ Scribed by Tertius L. Fonseca; Marcos A. Castro; Carlos Cunha; Orlando A.V. Amaral

Book ID
117537516
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
79 KB
Volume
123
Category
Article
ISSN
0379-6779

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Under generalized gradient approximation (GGA), geometrical structure, size dependence of stability and electronic properties of neutral Mg n , singly charged cationic Mg n + and singly charged anionic Mg n ร€ clusters consisting of up to 11 atoms have been studied systematically by ab initio method