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Computational Quantum Chemistry: Theory and Programming - Justin M Turney

English
2023-02-01
€253.74 €362.49

-30% with code BOOKS

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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 includ ... Full description

Description

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.

More Information

Author Justin M Turney
Publisher Elsevier Science
Release year 2023
Cover type Softcover
EAN 9780323905763
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€253.74 €362.49