Molecular Dynamics Simulation / / Multidisciplinary Digital Publishing Institute

• Pubblicazione: [Place of publication not identified] : , : MDPI - Multidisciplinary Digital Publishing Institute, , 2014
• Descrizione fisica: 1 online resource (628 pages)
• Disciplina: 541.394
• Soggetto topico: Molecular dynamics; Digital computer simulation
• Sommario/riassunto: Condensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even biological matter, are governed by well understood laws of physics, within the formal theoretical framework of quantum theory and statistical mechanics. On the relevant scales of length and time, the appropriate 'first-principles' description needs only the Schroedinger equation together with Gibbs averaging over the relevant statistical ensemble. However, this program cannot be carried out straightforwardly-dealing with electron correlations is still a challenge for the methods of quantum chemistry. Similarly, standard statistical mechanics makes precise explicit statements only on the properties of systems for which the many-body problem can be effectively reduced to one of independent particles or quasi-particles.
• Titolo autorizzato: Molecular Dynamics Simulation
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910674360903321
• Lo trovi qui: Univ. Federico II