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| HANDBOOK OF GAUSSIAN BASIS SETS
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 A Compendium for Ab-Initio Molecular Orbital Calculations
Buy online with a credit card in the Elsevier Science & Technology Bookstore:  http://books.elsevier.com/elsevier/?isbn=0444424938
By
R. Poirier
R. Kari
I.G. Csizmadia
Included in series
Physical Sciences Data, 24
Description
An astonishing amount of work has been published in the field of Gaussian exponent optimization - a fact which will be clear to the reader
when he leafs through the multitude of tables that represent the major body of this compendium. By bringing together all these basis
sets for the first time in a single volume, the authors have prepared an invaluable reference work for all chemists involved in molecular
Gaussian computations. A total of 1074 different basis sets has been created for atoms, from hydrogen to ytterbium. For carbon alone
there are 86 different basis sets, 16 of which are listed with more than one contraction scheme, giving about 100 different ways to represent
the carbon atom in molecular orbital calculations. A detailed listing of each basis set and several summary tables are given, allowing
the reader quickly to reference all the basis sets of interest for every atom. Every effort has been made to collect all available
data for cartesian Gaussian up to July 1984. Also included is a large collection of polarization function exponents and, for the sake
of completeness, exponents for Slater type orbitals (STO) have also been included. Now, with the aid of this handy compendium, the task
of the researcher in locating and evaluating existing basis sets is greatly simplified.
Contents
1. General. 2. Guide to Choosing a Basis Set. 3. Guide to the Appendices. 4. References. 5. Appendix A. Summary of Basis Sets Arranged
by the Table Number. 6. Appendix B. Summary of Basis Sets Arranged by Type and Size. 7. Appendix C. Slater Exponents for Atoms He to
Xe. 8. Appendix D. Slater Exponents for STO-ENG Expansions. 9. Appendix E. Molecular Optimized Gaussian Basis Sets and Standard Atomic
Scale Factors. 10. Appendix F. Polarization and Diffuse Functions. 11. Appendix G. Gaussian Basis Sets.
| Bibliographic details |
Hardbound, xii + 674 pages, publication date: JUN-1985
ISBN-13: 978-0-444-42493-8
ISBN-10: 0-444-42493-8
Imprint: ELSEVIER
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| Price and Ordering |
Price:
GBP 260
USD 390.95
EUR 391
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Last update: 8 Nov 2008
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