Thermodynamic and structural properties of model systems at solid-fluid coexistence : II. Melting and sublimation of the Lennard-Jones system

Quantum computation of the thermodynamic

Quantum computation of the thermodynamics, structural and transport properties of Lennard–Jones liquid systems: The Feynman–Hibbs approach

✍ N. Tchouar; M. Benyettou; F. Ould Kadour 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 191 KB

The properties of liquid helium, liquid methane and liquid neon are calculated over a large range of temperature from classical molecular dynamics simulations. The molecular interactions are represented by Lennard -Jones pair potentials supplemented by quantum corrections following the Feynman -Hibb