William Parkinson,attended California University of Pennsylvania, receiving a BS in chemistry in 1977. This was followed with stints as an environmental engineer, a construction worker, marine biologist, and high school physics and mathematics teacher. He obtained his PhD from the University of Florida‘s Quantum Theory Project in 1989, where he had the great fortune of rubbing elbows with the world’s leading experts in computational chemistry during some of the fields most formative years. After postdoctoral positions at Odense University (now Syddansk Universitet, the University of Southern Denmark) and Texas A&M, he joined the faculty of Southeastern Louisiana University in 1991. His pastimes and passions include yard work, biking, volleyball, the beach, and Pittsburgh Steeler football.
目錄:
Author biography
1 Introduction
2 Motion in matter
3 Vibrating matter
3.1 Classical vibration
3.2 Planck‘s approach to vibration
4 Rotating matter
4.1Analysis of classical rotational motion
4.2 Bohr’s approach to rotation
5 Translating matter
5.1Analysis of classical translational motion
5.2 de Broglie analysis of translational motion
6 Quantum translation
6.1 Stationary state wave functions
6.2 Unconstrained one-dimensional translation
6.3 0ne-dimensional translation in a box
6.4 Multi-dimensional translation in a box
7 Interpreting quantum mechanics
7.1 The probability density
7.2 Eigenvectors and basis sets
7.3 Projection operators
7.4 Expectation values
7.5 The uncertainty principle
8 Quantum rotation
8.1 Circular motion: the particle on a ring
8.2 Spherical motion: the particle on a sphere
9 Quantum vibration
9.1 Harmonic oscillation
9.2 Anharmonicity
10 Variational methods
10.1 Prologue
10.2 The variational principle
10.3 Determining expansion coefficients
11 Electrons in atoms
11.1 Rotational motion due to a central potential: the hydrogen atom
11.2 Properties of the hydrogen atom solutions
11.3 Electron spin
11.4 Populating many-electron atoms
11.5 Many-body wave functions
11.6 Antisymmetry
11.7 Angular momentum in many-electron atoms
12 Perturbation theory
12.1 Rayleigh Schrodinger perturbation theory
12.2 Applications of perturbation theory
12.3 The resolvent operator
12.4 Techniques for solving the sum over states equations
13 Electrons in molecules
13.1 The simplest molecular model: a one-electron diatomic
13.2 The hydrogen molecule
13.3 Practical information regarding calculations
13.4 Qualitative molecular orbital theory for homonuclear diatomics
13.5 The Huckel method
Appendices
A Physical constants and units
B Calculus and trigonometry essentials
Index
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