Computational Quantum Chemistry: Theory and Programming
Justin M. Turney (Center for Computational Quantum Chemistry, University of Georgia, USA)
Computational Quantum Chemistry: Theory and Programming
Justin M. Turney (Center for Computational Quantum Chemistry, University of Georgia, USA)
Computational Quantum Chemistry: Theory and Programming is a practical guide aimed at helping readers make the transition from being users of computational chemistry to developers of computational chemistry methods. After introducing quantum chemistry methods, the text then shows how to derive working equations and efficiently implement the obtained equations into a computer program. Computer code is included after each theoretical concept is introduced, showing the concept in practice. By the end of the book, the reader will have a working molecular integrals library, and Hartree-Fock, configuration interaction, and coupled cluster theory codes.
This item is not currently in-stock. It can be ordered online and is expected to ship in approx 4 weeks
Our stock data is updated periodically, and availability may change throughout the day for in-demand items. Please call the relevant shop for the most current stock information. Prices are subject to change without notice.
Sign in or become a Readings Member to add this title to a wishlist.