Basis Sets in Computational Chemistry

Book Overview

This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for...

• Format: Paperback
• Language: English
• ISBN: 3030672646
• ISBN13: 9783030672645
• Release Date: May 2022
• Publisher: Springer
• Length: 255 Pages
• Weight: 0.82 lbs.
• Dimensions: 0.6" x 6.1" x 9.2"