Foreword	5
	Preface	7
	Acknowledgments	9
	Contents	11
	Chapter 1 Classical Mechanics	14
	1.1 NEWTONIAN MECHANICS	14
	1.2 HAMILTONIAN MECHANICS	16
	1.3 THE HARMONIC OSCILLATOR	18
	Chapter 2 Fundamentals of Quantum Mechanics	27
	2.1 THE DE BROGLIE RELATION	27
	2.2 ACCOUNTING FOR WAVE CHARACTER IN MECHANICAL SYSTEMS	29
	2.3 THE BORN INTERPRETATION	31
	2.4 PARTICLE-IN-A-BOX	33
	2.5 HERMITIAN OPERATORS	40
	2.6. OPERATORS AND EXPECTATION VALUES	40
	2.7 THE HEISENBERG UNCERTAINTY PRINCIPLE	42
	2.8 PARTICLE IN A THREE-DIMENSIONAL BOX AND DEGENERACY	46
	Chapter 3 Rotational Motion	50
	3.1 PARTICLE-ON-A-RING	50
	3.2 PARTICLE-ON-A-SPHERE	55
	Chapter 4 Techniques of Approximation	67
	4.1 VARIATION THEORY	67
	4.2 TIME INDEPENDENT NON-DEGENERATE PERTURBATION THEORY	73
	4.3 TIME-INDEPENDENT DEGENERATE PERTURBATION THEORY	89
	Chapter 5 Particles Encountering a Finite Potential Energy	98
	5.1 HARMONIC OSCILLATOR	98
	5.2 TUNNELING, TRANSMISSION, AND REFLECTION	109
	Chapter 6 Vibrational/Rotational Spectroscopy of Diatomic Molecules	126
	6.1 FUNDAMENTALS OF SPECTROSCOPY	126
	6.2 RIGID ROTOR HARMONIC OSCILLATOR APPROXIMATION (RRHO)	128
	6.3 VIBRATIONAL ANHARMONICITY	141
	6.4 CENTRIFUGAL DISTORTION	145
	6.5 VIBRATION-ROTATION COUPLING	148
	6.6 SPECTROSOPIC CONSTANTS FROM VIBRATIONAL SPECTRA	149
	6.7 TIME DEPENDENCE AND SELECTION RULES	153
	Chapter 7 Vibrational and Rotational Spectroscopy of Polyatomic Molecules	163
	7.1 ROTATIONAL SPECTROSCOPY OF LINEAR POLYATOMIC MOLECULES	163
	7.2 ROTATIONAL SPECTROSCOPY OF NON-LINEAR POLYATOMIC MOLECULES	169
	7.3 INFRARED SPECTROSCOPY OF POLYATOMIC MOLECULES	181
	Chapter 8 Atomic Structure and Spectra	190
	8.1 One-Electron Systems	190
	8.2 THE HELIUM ATOM	204
	8.3 ELECTRON SPIN	212
	8.4 COMPLEX ATOMS	213
	8.5 SPIN-ORBIT INTERACTION	220
	8.6 SELECTION RULES AND ATOMIC SPECTRA	230
	Chapter 9 Methods of Molecular Electronic Structure Computations	235
	9.1 THE BORN-OPPENHEIMER APPROXIMATION	235
	9.2 THE MOLECULE	237
	9.3 MOLECULAR MECHANICS METHODS	245
	9.4 AB INITIO METHODS	248
	9.5 SEMI-EMPIRICAL METHODS	262
	9.6 DENSITY FUNCTIONAL METHODS	264
	9.7 COMPUTATIONAL STRATEGIES	268
	Appendix I Table of Physical Constants	272
	Appendix II Table of Energy Conversion Factors	273
	Appendix III Table of Common Operators	274
	Index	275
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