Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications - Couverture rigide

Livre 7 sur 32: Progress in Theoretical Chemistry and Physics
 
9781402016745: Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications
Couverture rigide
ISBN 10 : 1402016743 ISBN 13 : 9781402016745
Editeur : Kluwer Academic Publishers, 2003

Synopsis

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.
The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.
The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using Ecg functions. The last part of the book reviews applications of Ec functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
Kluwer Academic Publishers
Date d'édition
2003
Langue
anglais
ISBN 10 
1402016743
ISBN 13 
9781402016745
Reliure
Relié
Nombre de pages
578
Éditeur
Rychlewski J.
Coordonnées du fabricant
non disponible
Personne responsable
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Autres éditions populaires du même titre

9789048164486: Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications

Edition présentée

ISBN 10 :  9048164486 ISBN 13 :  9789048164486
Editeur : Springer, 2010
Couverture souple