Introduction to Computational Chemistry

• Main Author: Jensen, Frank (Author)
• Format: Book
• Language: English
• Published: Chichester, England John Wiley & Sons, Ltd 2007
• Edition: Second Edition
• Subjects: Chemistry, Physical and theoretical > Mathematics; Chemistry, Physical and theoretical > Data processing
• Online Access: Click Here to View Status and Holdings.

 Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to the sophisticated. Although comprehensive in its coverage, this textbook focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects. No prior knowledge of concepts specific to computational chemistry are assumed, but the reader will need some understanding of introductory quantum mechanics, linear algebra, and vector, differential and integral calculus.