699 citations · 988 across the 5 of their papers we have counts for
3 papers · 1 filter
Packing Transitions in Nanosized Li Clusters
Ming Wen Sung, Ryoichi Kawai, John H. Weare
Packing transitions in the lowest energy structures of Li clusters as a function of size have been identified via simulated annealing. For N>21, the large character of Li leads…
C20: Fulleren, Bowl or Ring? New Results from Coupled-Cluster Calculations
Peter R. Taylor, Eric Bylaska, John H. Weare +1
Contrary to recent experimental evidence suggesting that the monocyclic ring is the most stable 20-atom carbon species, highly accurate calculations convincingly predict that the s…
Li as a pseudorotating planar cluster
Ryoichi Kawai, Joseph F. Tombrello, John H. Weare
A pseudorotating state of Li observed in a recent EPR experiment is investigated using the local density functional method. The calculated isotropic spin population indicates t…