9783540651062 - Potential Energy Surfaces: Proceedings of the Mariapfarr Workshop in Theoretical Chemistry: 71 (13 risultati)

Paperback. Condizione: Wie neu. VIII, 233 S.; Ill. Like new. Shrink wrapped. Sprache: Englisch Gewicht in Gramm: 425.

Condizione: Sehr gut. Zustand: Sehr gut | Sprache: Englisch | Produktart: Bücher | Mariapfarr, a small place in Lungau in Salzburger Land, is known among (mainly German speaking) quantum chemists for a tradition of winter workshops orga­ nized by the theory section of the Austrian Society of Chemists (GOCh) going back to 1972. The second generation of Mariapfarr workshops started in 1996 with the on on potential energy surfaces (PES), organized by Alexander F. Sax, the proceedings of which are presented here. Various aspects of PES are reviewd. The practically important topic of the analytic representation of potential surfaces is treated by Ralph Jaquet. Brian Sutcliffe discusses fundamental problems related to the separation of electronic and nuclear coordinates and the definition of molecule-fixed frames. Empirical force fields which are the basis of Molecular Modelling methods are P. Hiinenberger and W. F. van Gunsteren. presented by The Born-Oppenheimer expansion seen from a mathematical point of view is the context of the contribution by Markus Klein. The basis concepts and the mathematical apparatus of potential energy sur­ faces are given by A. F. Sax.

Condizione: New. In.

Condizione: New. pp. 248.

Paperback. Condizione: Brand New. 1st edition. 233 pages. 9.50x6.25x0.50 inches. In Stock.

Taschenbuch. Condizione: Neu. Potential Energy Surfaces | Proceedings of the Mariapfarr Workshop in Theoretical Chemistry | Alexander F. Sax | Taschenbuch | viii | Englisch | 1998 | Springer | EAN 9783540651062 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Taschenbuch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - Potential Energy Surfaces is a collection of lectures given at the 1996 Mariapfarr Workshop in Theoretical Chemistry, organized by Alexander F. Sax. The Mariapfarr Workshops' aim is to discuss in-depth topics in Theoretical Chemistry. The target group of these workshops is graduate students and postdocs.

Paperback. Condizione: Like New. LIKE NEW. SHIPS FROM MULTIPLE LOCATIONS. book.

Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Potential Energy Surfaces is a collection of lectures given at the 1996 Mariapfarr Workshop in Theoretical Chemistry, organized by Alexander F. Sax. The Mariapfarr Workshops' aim is to discuss in-depth topics in Theoretical Chemistry. The target group of these workshops is graduate students and postdocs. 248 pp. Englisch.

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. A.F. Sax: Hypersurfaces and Coordinate Systems.- B.T. Sutcliffe: The Idea of a Potential Energy Surface.- R. Jaquet: Interpolation and Fitting.- P.H. Hueneberger and W.F. van Gunsteren: Empirical Force Fields.- M. Klein: The Born-Oppenheimer Expansion.

Condizione: New. Print on Demand pp. 248 49:B&W 6.14 x 9.21 in or 234 x 156 mm (Royal 8vo) Perfect Bound on White w/Gloss Lam.

Condizione: New. PRINT ON DEMAND pp. 248.

Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Hypersurfaces and Coordinate Systems.- 1 Preliminaries.- 2 Metric spaces.- 3 Vector spaces.- 4 Affine and Euclidian spaces.- 5 Manifolds.- 6 Coordinate systems used for molecules.- References.- The Idea of a Potential Energy Surface.- 1 Introduction.- 2 The removal of translational motion.- 3 Distinguishing electronic and nuclear motions.- 4 The body-fixed Hamiltonian.- 5 Separating electronic and nuclear motions.- 6 The clamped nucleus Hamiltonian.- 7 The Potential Energy Function.- 8 Conclusions.- References.- Interpolation and fitting of potential energy surfaces: Concepts, recipes and applications.- 1 Introduction.- 2 General functional forms.- 3 Specific forms for diatomic and polyatomic systems.- 4 Combination of theoretical and experimental data.- 5 Comparison of different fits in some test cases.- 6 Formulae for Lagrange-, Hermite-and spline-interpolations.- 7 Acknowledgments and literature.- 8 Appendix.- Empirical Classical Force Fields for Molecular Systems.- 1 Introduction.- 2 Choice of the explicit degrees of freedom.- 3 Force field terms.- 4 Conclusion.- References.- The Born-Oppenheimer Expansion: Eigenvalues, Eigenfunctions and Low-Energy Scattering.- 1 Introduction.- 2 Spectral Asymptotics.- 3 Low energy scattering for diatomic molecules.- References.Springer-Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 248 pp. Englisch.