Assessment of Anharmonicities in Clusters: Developing and Validating a Minimum-Information Partition Function
Roope Halonen
Abstract:Precise thermodynamic calculations are essential for
understanding
the dynamics of cluster systems and new particle formation. However,
the widely employed harmonic statistical mechanical approach often
falls short in terms of accuracy. In this study, we present an improved
statistical model that incorporates vibrational anharmonicity via
a novel partition function that requires only one additional system-specific
input parameter. In addition to considering vibrational aspects, we
also account for anharmonicit… Show more
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