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Presents a unique approach to grasping the concepts of quantum theory with a focus on atoms, clusters, and crystals
Quantum theory of atoms and molecules plays a vitally important role in molecular physics, materials science, nanoscience, solid state physics and many related fields. Introductory Quantum Mechanics with MATLAB® is designed to be an accessible guide to quantum theory and its applications. The textbook uses the popular MATLAB® software for the numerical solution of quantum mechanical problems, with a particular focus on clusters and assemblies of atoms.
The textbook is written by a noted researcher and expert on the topic who introduces density functional theory, variational calculus and other practice-proven methods for the solution of quantum-mechanical problems. This important guide:
- Presents the material in a didactical manner to help students grasp the concepts and applications of quantum theory
- Covers topics such as clusters, nanocrystals, transitions and organic molecules
- Offers MATLAB® codes to solve real-life quantum mechanical problems
Written for master's and PhD students in physics, chemistry, material science, and engineering sciences, Introductory Quantum Mechanics with MATLAB® contains an accessible approach to understanding the concepts of quantum theory applied to atoms, clusters, and crystals.
Presents a unique approach to grasping the concepts of quantum theory with a focus on atoms, clusters, and crystals
Quantum theory of atoms and molecules plays a vitally important role in molecular physics, materials science, nanoscience, solid state physics and many related fields. Introductory Quantum Mechanics with MATLAB® is designed to be an accessible guide to quantum theory and its applications. The textbook uses the popular MATLAB® software for the numerical solution of quantum mechanical problems, with a particular focus on clusters and assemblies of atoms.
The textbook is written by a noted researcher and expert on the topic who introduces density functional theory, variational calculus and other practice-proven methods for the solution of quantum-mechanical problems. This important guide:
- Presents the material in a didactical manner to help students grasp the concepts and applications of quantum theory
- Covers topics such as clusters, nanocrystals, transitions and organic molecules
- Offers MATLAB® codes to solve real-life quantum mechanical problems
Written for master's and PhD students in physics, chemistry, material science, and engineering sciences, Introductory Quantum Mechanics with MATLAB® contains an accessible approach to understanding the concepts of quantum theory applied to atoms, clusters, and crystals.
1 Introduction to quantum theory
2 One electron atoms
2.1 The Bohr atom
2.2 The Schrödinger equation
2.3 The electronic structure of atoms and the periodic table
3 Multi-electron systems: atoms and molecules
3.1 The variational principle
3.2 The Hartree approximation
3.3 The Hartree-Fock approximation
4 The electron gas
4.1 The free electron model
4.2 The Thomas-Fermi approximation
4.2 Exchange interactions
5 Density functional theory
5.1 The Hohenberg-Kohn-Sham Theory
5.2 The Kohn-Sham equation
6 Pseudopotential theory
Part 2 Numerical Methods
7 Methods for atoms
7.1 Variational methods
7.2 Integration methods
8 Methods for molecules and clusters
8.1 Basis set methods
8.2 Grid methods
8.3 Diagonalization methods
8.4 Filtering methods
9 MATLABR codes for atoms and molecules
Part 3 Applications
10 Atoms
10.1 Energy levels and orbitals
10.2 Ionization and affinity energies
10.3 Polarizabilities
11 Diatomic and Simple Molecues
11.1 Chemical trends and ionicity
11.2 Energy levels and orbitals
11.3 Binding energies and vibrational modes
12 Clusters
12.1 Special form of matter
12.2 The structure of clusters
12.2 Role of quantum confinement
12.2 Energy levels and orbitals
12.3 Binding energies and vibrational modes
Appendix
A Units
B Matlab codes
Bibliography
| Erscheinungsjahr: | 2018 |
|---|---|
| Fachbereich: | Theoretische Physik |
| Genre: | Mathematik, Medizin, Naturwissenschaften, Physik, Technik |
| Rubrik: | Naturwissenschaften & Technik |
| Medium: | Taschenbuch |
| Inhalt: |
224 S.
2 s/w Illustr. 2 Illustr. |
| ISBN-13: | 9783527409266 |
| ISBN-10: | 3527409262 |
| Sprache: | Englisch |
| Herstellernummer: | 1140926 000 |
| Einband: | Kartoniert / Broschiert |
| Autor: | Chelikowsky, James R. |
| Hersteller: | Wiley-VCH GmbH |
| Verantwortliche Person für die EU: | Wiley-VCH GmbH, Boschstr. 12, D-69469 Weinheim, product-safety@wiley.com |
| Abbildungen: | 2 schwarz-weiße Abbildungen |
| Maße: | 244 x 169 x 12 mm |
| Von/Mit: | James R. Chelikowsky |
| Erscheinungsdatum: | 07.11.2018 |
| Gewicht: | 0,443 kg |
1 Introduction to quantum theory
2 One electron atoms
2.1 The Bohr atom
2.2 The Schrödinger equation
2.3 The electronic structure of atoms and the periodic table
3 Multi-electron systems: atoms and molecules
3.1 The variational principle
3.2 The Hartree approximation
3.3 The Hartree-Fock approximation
4 The electron gas
4.1 The free electron model
4.2 The Thomas-Fermi approximation
4.2 Exchange interactions
5 Density functional theory
5.1 The Hohenberg-Kohn-Sham Theory
5.2 The Kohn-Sham equation
6 Pseudopotential theory
Part 2 Numerical Methods
7 Methods for atoms
7.1 Variational methods
7.2 Integration methods
8 Methods for molecules and clusters
8.1 Basis set methods
8.2 Grid methods
8.3 Diagonalization methods
8.4 Filtering methods
9 MATLABR codes for atoms and molecules
Part 3 Applications
10 Atoms
10.1 Energy levels and orbitals
10.2 Ionization and affinity energies
10.3 Polarizabilities
11 Diatomic and Simple Molecues
11.1 Chemical trends and ionicity
11.2 Energy levels and orbitals
11.3 Binding energies and vibrational modes
12 Clusters
12.1 Special form of matter
12.2 The structure of clusters
12.2 Role of quantum confinement
12.2 Energy levels and orbitals
12.3 Binding energies and vibrational modes
Appendix
A Units
B Matlab codes
Bibliography
| Erscheinungsjahr: | 2018 |
|---|---|
| Fachbereich: | Theoretische Physik |
| Genre: | Mathematik, Medizin, Naturwissenschaften, Physik, Technik |
| Rubrik: | Naturwissenschaften & Technik |
| Medium: | Taschenbuch |
| Inhalt: |
224 S.
2 s/w Illustr. 2 Illustr. |
| ISBN-13: | 9783527409266 |
| ISBN-10: | 3527409262 |
| Sprache: | Englisch |
| Herstellernummer: | 1140926 000 |
| Einband: | Kartoniert / Broschiert |
| Autor: | Chelikowsky, James R. |
| Hersteller: | Wiley-VCH GmbH |
| Verantwortliche Person für die EU: | Wiley-VCH GmbH, Boschstr. 12, D-69469 Weinheim, product-safety@wiley.com |
| Abbildungen: | 2 schwarz-weiße Abbildungen |
| Maße: | 244 x 169 x 12 mm |
| Von/Mit: | James R. Chelikowsky |
| Erscheinungsdatum: | 07.11.2018 |
| Gewicht: | 0,443 kg |
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