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Ab Initio Calculations of Clusters

โœ Scribed by Weigend, Florian


Book ID
121683251
Publisher
Springer Berlin Heidelberg
Year
2004
Weight
580 KB
Category
Article

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Ab initio molecular electronic-structure theory has been used in an attempt to characterize the low-lying stationary points on the potential energy hypersurface of positive ionic hydrogen clusters. Using triple-zeta-plus-polarization hasis sets, self-consistentfield Hartree-Fock calculations, confmr