This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.
Here's a sample of other books in this Dover category
Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory by Attila Szabo, Neil S. Ostlund This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Problems and Solutions in Quantum Chemistry and Physics by Charles S. Johnson, Jr., Lee G. Pedersen Unusually varied problems, with detailed solutions, cover of quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.
An Atlas of Fullerenes by P. W. Fowler, D. E. Manolopoulos Students and researchers will appreciate this guide, which features a comprehensive set of pictures of fullerene structures and tabulates their properties. Seven chapters offer a self-contained introduction. 1995 edition.
