{"product_id":"introductory-quantum-mechanics-with-matlab-for-atoms-molecules-clusters-and-nanocrystals-9783527409266","title":"Introductory Quantum Mechanics with MATLAB: For","description":"\u003cb\u003eBook Synopsis\u003c\/b\u003e\u003cbr\u003ePresents a unique approach to grasping the concepts of quantum theory with a focus on atoms, clusters, and crystals \u003cbr\u003e  \u003cbr\u003e Quantum theory of atoms and molecules is  vitally important 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 programming language for the analytical and numerical solution of quantum mechanical problems, with a particular focus on clusters and assemblies of atoms. \u003cbr\u003e  \u003cbr\u003e 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: \u003cbr\u003e  \u003cbr\u003e -Presents the material in a didactical manner to help students grasp the concepts and applications of quantum theory \u003cbr\u003e -Covers a wealth of cutting-edge topics such as clusters, nanocrystals, transitions and organic molecules \u003cbr\u003e -Offers MATLAB codes to solve real-life quantum mechanical problems \u003cbr\u003e  \u003cbr\u003e 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. \u003cbr\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTable of Contents\u003c\/b\u003e\u003cbr\u003e\u003cp\u003ePreface xi\u003c\/p\u003e \u003cp\u003e\u003cb\u003e1 Introduction 1\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e1.1 Different Is Usually Controversial 1\u003c\/p\u003e \u003cp\u003e1.2 The Plan: Addressing Dirac’s Challenge 2\u003c\/p\u003e \u003cp\u003eReference 4\u003c\/p\u003e \u003cp\u003e\u003cb\u003e2 The Hydrogen Atom 5\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e2.1 The Bohr Model 5\u003c\/p\u003e \u003cp\u003e2.2 The Schrödinger Equation 8\u003c\/p\u003e \u003cp\u003e2.3 The Electronic Structure of Atoms and the Periodic Table 15\u003c\/p\u003e \u003cp\u003eReferences 18\u003c\/p\u003e \u003cp\u003e\u003cb\u003e3 Many-electron Atoms 19\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e3.1 The Variational Principle 19\u003c\/p\u003e \u003cp\u003e3.1.1 Estimating the Energy of a Helium Atom 21\u003c\/p\u003e \u003cp\u003e3.2 The Hartree Approximation 22\u003c\/p\u003e \u003cp\u003e3.3 The Hartree–Fock Approximation 25\u003c\/p\u003e \u003cp\u003eReferences 27\u003c\/p\u003e \u003cp\u003e\u003cb\u003e4 The Free Electron Gas 29\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e4.1 Free Electrons 29\u003c\/p\u003e \u003cp\u003e4.2 Hartree–Fock Exchange in a Free Electron Gas 35\u003c\/p\u003e \u003cp\u003eReferences 36\u003c\/p\u003e \u003cp\u003e\u003cb\u003e5 Density Functional Theory 37\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e5.1 Thomas–Fermi Theory 37\u003c\/p\u003e \u003cp\u003e5.2 The Kohn–Sham Equation 40\u003c\/p\u003e \u003cp\u003eReferences 43\u003c\/p\u003e \u003cp\u003e\u003cb\u003e6 Pseudopotential Theory 45\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e6.1 The Pseudopotential Approximation 45\u003c\/p\u003e \u003cp\u003e6.1.1 Phillips–Kleinman CancellationTheorem 47\u003c\/p\u003e \u003cp\u003e6.2 PseudopotentialsWithin Density FunctionalTheory 50\u003c\/p\u003e \u003cp\u003eReferences 57\u003c\/p\u003e \u003cp\u003e\u003cb\u003e7 Methods for Atoms 59\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e7.1 The Variational Approach 59\u003c\/p\u003e \u003cp\u003e7.1.1 Estimating the Energy of the Helium Atom. 59\u003c\/p\u003e \u003cp\u003e7.2 Direct Integration 63\u003c\/p\u003e \u003cp\u003e7.2.1 Many-electron Atoms Using Density FunctionalTheory 67\u003c\/p\u003e \u003cp\u003eReferences 69\u003c\/p\u003e \u003cp\u003e\u003cb\u003e8 Methods for Molecules, Clusters, and Nanocrystals 71\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e8.1 The H2 Molecule: Heitler–LondonTheory 71\u003c\/p\u003e \u003cp\u003e8.2 General Basis 76\u003c\/p\u003e \u003cp\u003e8.2.1 PlaneWave Basis 79\u003c\/p\u003e \u003cp\u003e8.2.2 PlaneWaves Applied to Localized Systems 87\u003c\/p\u003e \u003cp\u003e8.3 Solving the Eigenvalue Problem 89\u003c\/p\u003e \u003cp\u003e8.3.1 An Example Using the Power Method 92\u003c\/p\u003e \u003cp\u003eReferences 95\u003c\/p\u003e \u003cp\u003e\u003cb\u003e9 Engineering Quantum Mechanics 97\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e9.1 Computational Considerations 97\u003c\/p\u003e \u003cp\u003e9.2 Finite Difference Methods 99\u003c\/p\u003e \u003cp\u003e9.2.1 Special DiagonalizationMethods: Subspace Filtering 101\u003c\/p\u003e \u003cp\u003eReferences 104\u003c\/p\u003e \u003cp\u003e\u003cb\u003e10 Atoms 107\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e10.1 Energy levels 107\u003c\/p\u003e \u003cp\u003e10.2 Ionization Energies 108\u003c\/p\u003e \u003cp\u003e10.3 Hund’s Rules 110\u003c\/p\u003e \u003cp\u003e10.4 Excited State Energies and Optical Absorption 113\u003c\/p\u003e \u003cp\u003e10.5 Polarizability 122\u003c\/p\u003e \u003cp\u003eReferences 124\u003c\/p\u003e \u003cp\u003e\u003cb\u003e11 Molecules 125\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e11.1 Interacting Atoms 125\u003c\/p\u003e \u003cp\u003e11.2 Molecular Orbitals: Simplified 125\u003c\/p\u003e \u003cp\u003e11.3 Molecular Orbitals: Not Simplified 130\u003c\/p\u003e \u003cp\u003e11.4 Total Energy of a Molecule from the Kohn–Sham Equations 132\u003c\/p\u003e \u003cp\u003e11.5 Optical Excitations 137\u003c\/p\u003e \u003cp\u003e11.5.1 Time-dependent Density FunctionalTheory 138\u003c\/p\u003e \u003cp\u003e11.6 Polarizability 140\u003c\/p\u003e \u003cp\u003e11.7 The Vibrational Stark Effect in Molecules 140\u003c\/p\u003e \u003cp\u003eReferences 150\u003c\/p\u003e \u003cp\u003e\u003cb\u003e12 Atomic Clusters 153\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e12.1 Defining a Cluster 153\u003c\/p\u003e \u003cp\u003e12.2 The Structure of a Cluster 154\u003c\/p\u003e \u003cp\u003e12.2.1 Using Simulated Annealing for Structural Properties 155\u003c\/p\u003e \u003cp\u003e12.2.2 Genetic Algorithms 159\u003c\/p\u003e \u003cp\u003e12.2.3 Other Methods for Determining Structural Properties 162\u003c\/p\u003e \u003cp\u003e12.3 Electronic Properties of a Cluster 164\u003c\/p\u003e \u003cp\u003e12.3.1 The Electronic Polarizability of Clusters 164\u003c\/p\u003e \u003cp\u003e12.3.2 The Optical Properties of Clusters 166\u003c\/p\u003e \u003cp\u003e12.4 The Role of Temperature on Excited-state Properties 167\u003c\/p\u003e \u003cp\u003e12.4.1 Magnetic Clusters of Iron 169\u003c\/p\u003e \u003cp\u003eReferences 174\u003c\/p\u003e \u003cp\u003e\u003cb\u003e13 Nanocrystals 177\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e13.1 Semiconductor Nanocrystals: Silicon 179\u003c\/p\u003e \u003cp\u003e13.1.1 Intrinsic Properties 179\u003c\/p\u003e \u003cp\u003e13.1.1.1 Electronic Properties 179\u003c\/p\u003e \u003cp\u003e13.1.1.2 Effective MassTheory 184\u003c\/p\u003e \u003cp\u003e13.1.1.3 Vibrational Properties 187\u003c\/p\u003e \u003cp\u003e13.1.1.4 Example of VibrationalModes for Si Nanocrystals 188\u003c\/p\u003e \u003cp\u003e13.1.2 Extrinsic Properties of Silicon Nanocrystals 190\u003c\/p\u003e \u003cp\u003e13.1.2.1 Example of Phosphorus-Doped Silicon Nanocrystals 191\u003c\/p\u003e \u003cp\u003eReferences 197\u003c\/p\u003e \u003cp\u003eA Units 199\u003c\/p\u003e \u003cp\u003eB A Working Electronic Structure Code 203\u003c\/p\u003e \u003cp\u003eReferences 206\u003c\/p\u003e \u003cp\u003eIndex 207\u003c\/p\u003e","brand":"Wiley-VCH Verlag GmbH","offers":[{"title":"Default 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