Gaussian Basis Sets for Molecular Calculations - Couverture rigide

Huzinaga, S.; Andzelm, J.; Radzio-Andzelm, E.; Sakai, Y.; Tatewaki, H.; Klobukowski, M.

Couverture rigide

ISBN 10 : 0444422544 ISBN 13 : 9780444422545

Editeur : Elsevier Science Ltd, 1983

Synopsis

Physical Sciences Data, Volume 16: Gaussian Basis Sets for Molecular Calculations provides information pertinent to the Gaussian basis sets, with emphasis on lithium, radon, and important ions. This book discusses the polarization functions prepared for lithium through radon for further improvement of the basis sets. Organized into three chapters, this volume begins with an overview of the basis set for the most stable negative and positive ions. This text then explores the total atomic energies given by the basis sets. Other chapters consider the distinction between diffuse functions and polarization function. This book presents as well the exponents of polarization function. The final chapter deals with the Gaussian basis sets. This book is a valuable resource for chemists, scientists, and research workers.

Détails de l'édition

• Éditeur: Elsevier Science Ltd
• Date d'édition: 1983
• Langue: anglais
• ISBN 10: 0444422544
• ISBN 13: 9780444422545
• Reliure: Relié
• Nombre de pages: 434
• Coordonnées du fabricant: non disponible
• Personne responsable: LSWR Group; b.criscuolo@lswr.it; ; Via Spadolini, 7; Milano; Italie