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Potential Energy Surfaces. Proceedings of the Mariapfarr Workshop in Theoretical Chemistry (Lecture Notes in Chemistry Vol. 71)


von Alexander F. Sax

Kategorie: Theoretische Chemie
ISBN: 3540651063

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Kurzbeschreibung The book 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 Hünenberger presented empirical force fields, and Markus Klein showed how the Born-Oppenheimer expansion is seen from the mathematical point of view.

Synopsis 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,...


Theoretische Chemie > Potential Energy Surfaces. Proceedings of the Mariapfarr Workshop in Theoretical Chemistry (Lecture Notes in Chemistry Vol. 71)
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