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Titre : Quantum Chemistry : A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science Type de document : document électronique Auteurs : Thakkar Ajit J Mention d'édition : Third Edition Editeur : [S.l.] : Institute Of Physics Publishing Année de publication : 2021 Importance : 1 vol (F-3 p.) ISBN/ISSN/EAN : 978-0-7503-3826-4 Langues : Français (fre) Catégories : Bibliothèque numérique:Chimie Mots-clés : Quantum chemistry
Quantum TheoryIndex. décimale : 541.28 Chimie quantique Résumé :
This book provides non-specialists with a basic understanding of the underlying concepts of quantum chemistry. It is both a text for second- or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely use spectroscopic measurements and electronic structure computations in their work. This book is designed to help the novice user of these tools achieve a basic understanding of the underlying concepts of quantum chemistry. The emphasis is on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundational text. This new edition features extensive changes to increase clarity and to accommodate new material, including additional problems. a comprehensive list of resources and an introduction to computational quantum chemistry, while preserving the book's concise and accessible nature.Key FeaturesUpdated and extended new editionAccessible and concise introductionIncludes new additional problems with hints and solutionsFeatures an introduction to computational quantum chemistry,Includes lists of print and online resources to support teachingNote de contenu :
Contents
1 Molecular symmetry 1-1
2 Basic quantum mechanics 2-1
3 Translation and vibration 3-1
4 Symmetry and degeneracy 4-1
5 Rotational motion 5-1
6 Electronic motion: the hydrogen atom 6-1
7 A molecular prototype: the hydrogen molecular-ion 7-1
8 A mean field model for many-electron systems 8-1
9 The Hückel model 9-1
10 Handling electron correlation 10-1
11 Computational quantum chemistry 11-1
Appendix A: Systems with time-independent potentials A-1
Appendix B: Perturbation theory B-1
Appendix C: Solving matrix Hartree—Fock equations C-1
Appendix D: Reference material D-1
Appendix E: Problem hints and solutions E-1
Appendix F: Resources for study and exploration F-1
Côte titre : E-Fs/0013 En ligne : https://sciences-courses.univ-setif.dz/login/index.php Quantum Chemistry : A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science [document électronique] / Thakkar Ajit J . - Third Edition . - [S.l.] : [S.l.] : Institute Of Physics Publishing, 2021 . - 1 vol (F-3 p.).
ISBN : 978-0-7503-3826-4
Langues : Français (fre)
Catégories : Bibliothèque numérique:Chimie Mots-clés : Quantum chemistry
Quantum TheoryIndex. décimale : 541.28 Chimie quantique Résumé :
This book provides non-specialists with a basic understanding of the underlying concepts of quantum chemistry. It is both a text for second- or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely use spectroscopic measurements and electronic structure computations in their work. This book is designed to help the novice user of these tools achieve a basic understanding of the underlying concepts of quantum chemistry. The emphasis is on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundational text. This new edition features extensive changes to increase clarity and to accommodate new material, including additional problems. a comprehensive list of resources and an introduction to computational quantum chemistry, while preserving the book's concise and accessible nature.Key FeaturesUpdated and extended new editionAccessible and concise introductionIncludes new additional problems with hints and solutionsFeatures an introduction to computational quantum chemistry,Includes lists of print and online resources to support teachingNote de contenu :
Contents
1 Molecular symmetry 1-1
2 Basic quantum mechanics 2-1
3 Translation and vibration 3-1
4 Symmetry and degeneracy 4-1
5 Rotational motion 5-1
6 Electronic motion: the hydrogen atom 6-1
7 A molecular prototype: the hydrogen molecular-ion 7-1
8 A mean field model for many-electron systems 8-1
9 The Hückel model 9-1
10 Handling electron correlation 10-1
11 Computational quantum chemistry 11-1
Appendix A: Systems with time-independent potentials A-1
Appendix B: Perturbation theory B-1
Appendix C: Solving matrix Hartree—Fock equations C-1
Appendix D: Reference material D-1
Appendix E: Problem hints and solutions E-1
Appendix F: Resources for study and exploration F-1
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