Quantum chemistry
Author(s)
Bibliographic Information
Quantum chemistry
University Science Books, c2008
2nd ed
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Note
Includes index
Description and Table of Contents
Description
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.
Table of Contents
The Dawn of Quantum Theory.- The Classical Wave Equation.- The Schroedinger 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.
by "Nielsen BookData"
