Diatomics-in-molecules potentials incorporating ab initio data: Application to ionic, Rydberg-excited, and molecule-doped rare gas clusters

DOI10.1016/S0010-4655(02)00151-0zbMath1013.81512MaRDI QIDQ1605159

F. Y. Naumkin, D. J. Wales

Publication date: 11 July 2002

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

global optimizationbasin-hopping global optimization algorithmNe\(^+_n\), Ar\(^{\ast}_n\), Ar\(_n\)Cl\(_2\), and Ar\(_n\)NO clusters

Mathematics Subject Classification ID

Quantum optics (81V80) Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45) Statistical mechanics of gases (82D05) Variational principles of physics (49S05)

Related Items (1)

Structures and Energetics of Platinum–Cobalt Bimetallic Clusters

Cites Work

• On the limited memory BFGS method for large scale optimization

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