What can clusters tell us about the bulk? \textsc{Peacemaker}: extended quantum cluster equilibrium calculations

DOI10.1016/j.cpc.2011.03.011zbMath1266.82007OpenAlexW1624232852MaRDI QIDQ1943110

Miriam Kohagen, Patricia Reuther, Sebastian B. C. Lehmann, Michael von Domaros, Frank Uhlig, Johanna Langner, Eva Perlt, Marc Brüssel, Christian Spickermann, Barbara Kirchner

Publication date: 15 March 2013

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2011.03.011

zbMATH Keywords

waterhydrogen bondcondensed phase\texttt{Peacemaker}associated liquidscluster gasquantum cluster equilibriumstatistical thermodynamic

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22) Statistical mechanics of liquids (82D15) Statistical mechanics of gases (82D05)

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