Journal of chemical theory and computation
A Novel Classical Density Functional Theory Base on Multibody Potential and Its Application to the Formation of Metal Nanoclusters.
Fanfeng Ding, Yu Liu
Published: 202510.1021/acs.jctc.5c01070
Abstract
Metal nanoclusters are important materials in many fields due to their special sizes and properties. The key feature of metal nanoclusters lies in their multibody interactions, which differ significantly from conventional pairwise potentials. In this…
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