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英文电子书Fundamentals of Quantum Chemistry
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下载链接http://www.isload.com.cn/store/cfz384d8n6vmt，请大家不吝评价，谢谢 以下是目录 Chapter 1. Classical Mechanics 1.1Newtonian Mechanics, 1 1.2Hamiltonian Mechanics, 3 1.3The Harmonic Oscillator, 5 Chapter 2. Fundamentals of Quantum Mechanics 2.1The de Broglie Relationship, 14 2.2Accounting for Wave Character in Mechanical Systems, 16 2.3The Born Interpretation, 18 2.4Particle-in-a-Box, 20 2.5Hermitian Operators, 27 2.6Operators and Expectation Values, 27 2.7The Heisenberg Uncertainty Principle, 29 2.8Particle in a Three-Dimensional Box and Degeneracy, 33 Chapter 3. Rotational Motion 3.1Particle-on-a-Ring, 37 3.2Particle-on-a-Sphere, 42 Chapter 4. Techniques of Approximation 4.1Variation Theory, 54 4.2Time-Independent Non -Degenerate Perturbation Theory, 60 4.3Time-Independent Degenerate Perturbation Theory, 76 Chapter 5. Particles Encountering a Finite Potential Energy 5.1Harmonic Oscillator, 85 5.2Tunneling, Transmission, and Reflection, 96 Chapter 6. Vibrational/Rotational Spectroscopy of Diatomic Molecules 6.1Fundamentals of Spectroscopy, 113 6.2Rigid Rotor Harmonic Oscillator Approximation (RRHO), 115 6.3Vibrational Anharmonicity, 128 6.4Centrifugal Distortion, 132 6.5Vibration-Rotation Coupling, 135 Spectroscopic Constants from 6.6Vibrational Spectra, 136 6.7Time Dependence and Selection Rules, 140 Chapter 7. Vibrational and Rotational Spectroscopy of Polyatomic Molecules 7.1Rotational Spectroscopy of Linear Polyatomic Molecules, 150 7.2Rotational Spectroscopy of Non-Linear Polyatomic Molecules, 156 7.3Infrared Spectroscopy of Polyatomic Molecules, 168 Chapter 8. Atomic Structure and Spectra 8.1 One-Electron Systems, 177 8.2 The Helium Atom, 191 8.3 Electron Spin, 199 8.4 Complex Atoms, 200 8.5 Spin-Orbit Interaction, 207 8.6 Selection Rules and Atomic Spectra, 217 Chapter 9. Methods of Molecular Electronic Structure Computations 9.1 The Born-Oppenheimer Approximation, 222 9.2 The Molecule, 224 9.3 Molecular Mechanics Methods, 232 9.4 Ab Initio Methods, 235 9.5 Semi-Empirical Methods, 249 9.6 Density Functional Methods, 251 9.7 Computational Strategies, 255 Appendix I. Table of Physical Constants Appendix II. Table of Energy Conversion Factors Appendix III. Table of Common Operators http://www.isload.com.cn/store/cfz384d8n6vmt |
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