Handbook of Gaussian Basis Sets: A Compendium for Ab-Initio Molecular Orbital Calculations (Physical Sciences Data)

By Raymond Poirier

Hardbound. 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

• Format: Hardcover
• Language: English
• ISBN: 0444424938
• ISBN13: 9780444424938
• Release Date: June 1985
• Publisher: Elsevier Science
• Length: 674 Pages
• Weight: 3.15 lbs.
• Dimensions: 9.5" x 1.8" x 6.5"