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Potential Energy Surfaces : Proceedings of the Mariapfarr Workshop in Theoretical Chemistry : Lecture Notes in Chemistry, - A. F. Sax

Potential Energy Surfaces : Proceedings of the Mariapfarr Workshop in Theoretical Chemistry

Lecture Notes in Chemistry,

By: A. F. Sax (Editor)

Paperback

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This volume contains the lectures given at the theoretical chemistry workshop in 1996 in Mariapfarr, Austria. At the first meeting Brian Sutcliffe discussed the connection of the concept of potential energy surfaces and the Born-Oppenheimer approximation, Alexander Sax gave an overview of the basic concepts and the mathematical apparatus of hypersurfaces, Ralph Jaquet discussed the fitting of calculated energy values in order to obtain analytical representations of potential energy surfaces, Philippe Hunenberger presented empirical force fields, and Markus Klein showed how the Born-Oppenheimer expansion is seen from the mathematical point of view.

Hypersurfaces and Coordinate Systemsp. 1
The Idea of a Potential Energy Surfacep. 61
Interpolation and fitting of potential energy surfaces: Concepts, recipes and applicationsp. 97
Empirical Classical Force Fields for Molecular Systemsp. 177
The Born-Oppenheimer Expansion: Eigenvalues, Eigenfunctions and Low-Energy Scatteringp. 215
Table of Contents provided by Blackwell. All Rights Reserved.

ISBN: 9783540651062
ISBN-10: 3540651063
Series: Lecture Notes in Chemistry,
Audience: General
Format: Paperback
Language: English
Number Of Pages: 233
Publisher: Springer-Verlag Berlin and Heidelberg Gmbh & Co. Kg
Country of Publication: DE
Dimensions (cm): 23.39 x 15.6  x 1.32
Weight (kg): 0.35