From quantum to classical molecular dynamics. Reduced models and numerical analysis.

Lubich, Christian:

ISBN 10: 3037190671 / ISBN 13: 9783037190678

Published by Zurich, EMS Press, 2008

About this Item

IX, 144 S. Ehem. Bibliotheksexemplar mit Signatur und Stempel. GUTER Zustand, ein paar Gebrauchsspuren. Ex-library in GOOD condition with library-signature and stamp(s). Some traces of use. R-16659 9783037190678 Sprache: Englisch Gewicht in Gramm: 550.

Seller Inventory # 2480038

Bibliographic Details

• Title: From quantum to classical molecular dynamics. Reduced models and numerical analysis.
• Publisher: Zurich, EMS Press
• Publication Date: 2008
• Language: English
• ISBN 10: 3037190671
• ISBN 13: 9783037190678
• Binding: Softcover
• Weight: 550 grams
• Seller catalogs:
  • SA MATHEMATIK

About this title

Synopsis

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 Schrodinger 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.