Gaussian Basis Sets for Molecular Calculations - 1st Edition - ISBN: 9780444422545, 9780444596475

Gaussian Basis Sets for Molecular Calculations, Volume 16

1st Edition

Authors: S. Huzinaga J. Andzelm E. Radzio-Andzelm Y. Sakai H. Tatewaki M. Klobukowski
eBook ISBN: 9780444596475
Imprint: Elsevier Science
Published Date: 1st December 1983
Page Count: 434
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Table of Contents

I. General Introduction

II. Practical Guides

Table of Polarization Functions

III. Gaussian Basis Sets


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.


No. of pages:
© Elsevier Science 1984
Elsevier Science
eBook ISBN:

Reviews essential reference for researchers in the field of molecular calculations, especially for problems dealing with heavy atoms in the periodic table. @source: Theoretica Chimica Acta

About the Authors

S. Huzinaga Author

J. Andzelm Author

E. Radzio-Andzelm Author

Y. Sakai Author

H. Tatewaki Author

M. Klobukowski Author

Affiliations and Expertise

University of Alberta, Edmonton, Alta., Canada