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- W176840811 abstract "The Quantum Cluster Equilibrium model which has been developed within the past two decades is presented. It constitutes an alternative for the investigation of fluid phases and phase transitions. In that contribution, a conceptual overview is given. It is explained, how a limited number of molecular clusters is employed for the description of the liquid phase and the computation of thermodynamic properties. Herein, high-level electronic structure methods may be transferred to macroscopic phases via statistical mechanics. The suggested method is employed so that liquid water may be treated at the coupled-cluster level including single, double and perturbative triple excitations." @default.
- W176840811 created "2016-06-24" @default.
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- W176840811 date "2014-01-01" @default.
- W176840811 modified "2023-09-27" @default.
- W176840811 title "Quantum Cluster Equilibrium" @default.
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- W176840811 doi "https://doi.org/10.1007/978-3-319-06379-9_4" @default.
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