AB Initio Calculation of the Structures and Properties of Molecules

by Clifford E. Dykstra

This book is intended as a guide to the ab initio calculation of molecular structure and properties. It provides the necessary working information to enable the non-specialist to use and understand electronic structure methods and related computing technology, despite the high level of sophistication of quantum chemical methods. The initial chapters define and outline theoretical concepts, methods and computational approaches. Descriptive information...

• Format: Hardcover
• Language: English
• ISBN: 044443013X
• ISBN13: 9780444430137
• Release Date: September 1988
• Publisher: Elsevier Publishing Company
• Length: 286 Pages