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Gaussian Basis Sets for Molecular Calculations

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

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Gaussian Basis Sets for Molecular Calculations

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

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.

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Page Count

435

Publisher

Elsevier

Published Date

ISBN 10

044459647X

ISBN 13

9780444596475

Research in Atomic Structure

By: S. Fraga,M. Klobukowski,J. Muszynska,E. San Fabian,K.M.S. Saxena,J.A. Sordo,T.L. Sordo

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Research in Atomic Structure

By: S. Fraga,M. Klobukowski,J. Muszynska,E. San Fabian,K.M.S. Saxena,J.A. Sordo,T.L. Sordo

Impressive advances have been made in the study of atomic structures, at both the experimental and theoretical levels. And yet, the scarcity of information on atomic energy levels is evident At the same time there exists a need for data, because of the developments in such diverse fields as astrophysics and plasma and laser research, all of them of fundamental importance as well as practical impact. This project of research in atomic structure, consisting of three components (formulation, computer program, and numerical results), constitutes a basic and comprehensive work with a variety of uses. In its most practical application, it will yield a rather accurate prediction of the energy levels of any atomic system, of use per se or in the interpretation and confirmation of experimental results. On the other hand, it will also be of use in the comparative study of the appropriateness of the various levels of approximation and as a point of reference.

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Page Count

143

Publisher

Springer Science & Business Media

Published Date

ISBN 10

364293532X

ISBN 13

9783642935329