From Quantum to Classical Molecular Dynamics: Reduced Models and Numerical Analysis [[electronic resource] /] / Christian Lubich

• Autore: Lubich Christian
• Pubblicazione: Zuerich, Switzerland, : European Mathematical Society Publishing House, 2008
• Descrizione fisica: 1 online resource (153 pages)
• Soggetto topico: Numerical analysis; Quantum physics (quantum mechanics); Quantum theory
• Classificazione: 65-xx81-xx
• Sommario/riassunto: Quantum dynamics of molecules poses a variety of computational challenges that are presently at the forefront of research efforts in numerical analysis in a number of application areas: high-dimensional partial differential equations, multiple scales, highly oscillatory solutions, and geometric structures such as symplecticity and reversibility that are favourably preserved in discretizations. This text addresses such problems in quantum mechanics from the viewpoint of numerical analysis, illustrating them to a large extent on intermediate models between the Schrödinger equation of full many-body quantum dynamics and the Newtonian equations of classical molecular dynamics. The fruitful interplay between quantum dynamics and numerical analysis is emphasized.
• Altri titoli varianti: From Quantum to Classical Molecular Dynamics
• Titolo autorizzato: From Quantum to Classical Molecular Dynamics: Reduced Models and Numerical Analysis
• ISBN: 3-03719-567-3
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910151934103321
• Lo trovi qui: Univ. Federico II