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.
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.
From the contents: The Dawn of Quantum Theory - The Classical Wave Equation - The Schrödinger 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
From the contents: The Dawn of Quantum Theory - The Classical Wave Equation - The Schrödinger 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
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