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Computational Quantum Chemistry: Theory and Programming - Justin M Turney

inglise keel
2023-02-01
217,49 € 362,49 €

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Saadetis 22-28 tööpäeva jooksul

30-päevane tagastamisõigus

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 ... Täielik kirjeldus

Kirjeldus

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.

Lisateave

Autor Justin M Turney
Kirjastaja Elsevier Science
Väljalaskeaasta 2023
Kaanetüüp Pehme kaanega
EAN 9780323905763
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Te vaatate: Computational Quantum Chemistry: Theory and Programming
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217,49 € 362,49 €