HANDBOOK OF COMPUTATIONAL QUANTUM CHEMISTRY
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Book Details
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Author: David B. Cook
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Publisher: Dover
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Edition: Illustrated
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Binding: Paperback
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Format: Illustrated
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Number of Pages: 805
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Release Date: 02-08-2005
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ISBN: 9780486443072
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Package Dimensions: 8.5 x 5.5 x 1.9 inches
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Languages: English
About the Book
"Handbook of Computational Quantum Chemistry" is an essential resource for upper-level undergraduates and graduate students interested in quantum chemistry and molecular modeling. This comprehensive text offers a blend of theoretical insights and practical applications, making complex concepts accessible for readers with various backgrounds.
Key Topics Covered:
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Hartree-Fock Method: Understanding the matrix SCF equations and their implementation.
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Molecular Symmetry: The role of symmetry orbital transformations in quantum chemistry.
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Density Functional Theory: A modern approach to quantum chemistry.
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Molecular Modeling: Practical applications in drug and catalyst design.
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Kohn-Sham Equations: A key topic in computational quantum chemistry.
This text also delves into advanced subjects such as open shells, population analysis, multi-determinant methods, and time-dependent perturbations, offering students a well-rounded understanding of the quantum mechanical foundations behind molecular systems and computational chemistry.
It is a perfect blend of practical and theoretical knowledge for those diving into the world of computational quantum chemistry.
