Nuclear quantum effects in molecular dynamics simulations - Dammak, H; Hayoun, M; Brieuc, F; Geneste, G (arXiv.org, 2019)
Keywords: Access time; Anharmonicity; Classical mechanics; Computer simulation; Computing time; Energy dissipation; Energy distribution; Harmonic oscillators; Molecular dynamics; Physics - Computational Physics; Physics - Quantum Physics; Physics - Statistical Mechanics; Power spectral density; Quantum phenomena; Thermal baths; Time correlation functions; White noise