Structure and dynamics of small protonated rare-gas clusters using quantum and classical methods

DOI10.1016/S0010-4655(02)00148-0MaRDI QIDQ1605144zbMATH OpenOpenAlexFDO

Authors F. A. Gianturco, Francesco Filippone

Publication date 11 July 2002

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

Full work available at URL https://doi.org/10.1016/s0010-4655(02)00148-0

zbMATH Keywords

ab initio molecular dynamics (AIMD) treatmentsdiffusion Monte Carlo (DMC) approaches

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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• CPMD

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