The biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie presents step-by-step SCF calculations of a helium atom and a hydrogen molecule, in addition to including the Hartree-Fock method and post-Hartree-Fock methods.
Inhaltsverzeichnis
The Dawn of Quantum Theory. - The Classical Wave Equation. - The Schrö dinger Equation and a Particle in a Box. - The Postulates and General Principles of Quantum Mechanics. - The Harmonic Oscillator and Vibrational Spectroscopy. - The Rigid Rotator and Rotational Spectroscopy. - The Hydrogen Atom. - Approximation Methods. - Many-Electron Atoms. - The Chemical Bond: One-and-Two-Electron Molecules. - Qualitative Theory of Chemical Bonding. - Appendices. - Solutions of Problems. - Index.
