Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 113, Issue 43, Pages 11483-11486Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp900955h
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High-level ab initio coupled, cluster results with up to quadruple-zeta basis sets are presented for small Be and Mg clusters that are sections of the bulk lattice. It is shown that in combination with density functional calculations these results allow for a reliable extrapolation toward the cohesive energy of the infinite solid.
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