量子力学经典教材 Atkins-Molecular Quantum Mechanics.pdfVIP

1 The foundations of quantum mechanics Operators in quantum mechanics The whole of quantum mechanics can be expressed in terms of a small set 1.1 Linear operators of postulates. When their consequences are developed, they embrace the 1.2 Eigenfunctions and eigenvalues behaviour of all known forms of matter, including the molecules, atoms, and 1.3 Representations 1.4 Commutation and electrons that will be at the centre of our attention in this book. This chapter non-commutation introduces the postulates and illustrates how they are used. The remaining 1.5 The construction of operators chapters build on them, and show how to apply them to problems of chemical 1.6 Integrals over operators interest, such as atomic and molecular structure and the properties of mole- 1.7 Dirac bracket notation cules. We assume that you have already met the concepts of ‘hamiltonian’ and 1.8 Hermitian operators ‘wavefunction’ in an elementary introduction, and have seen the Schrodinger ¨ The postulates of quantum mechanics equation written in the form 1.9 States and wavefunctions Hc ¼ Ec 1.10 The fundamental prescription 1.11 The outcome of measurements This chapter establishes the full significance of this equation, and provides 1.12 The interpretation of the a foundation for its application in the following chapters. wavefunction 1.13 The equation for the wavefunction ¨ 1.14 The se