Quantum ChemistryThe biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie presents stepbystep SCF calculations of a helium atom and a hydrogen molecule, in addition to including the HartreeFock method and postHartreeFock methods. 
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LibraryThing Review
User Review  Brian.McGovney  LibraryThingFantastic book. For the professional scientist, this is the best primer I know of. For the generalist, do yourself a favor and stop reading what TV gurus, soothsayers and other assorted charlatans say about quantum mechanics, and read this for the real poop. Read full review
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Contents
MATHCHAPTER A Complex Numbers  45 
MATHCHAPTERB Probability and Statistics  85 
The Schrodinger Equation and a Particle in a Box  97 
MathChapterC Vectors  129 
The Postulates and General Principles of Quantum  143 
Series and Limits  197 
The Harmonic Oscillator and Vibrational  207 
Oscillator  239 
MATHCHAPTERG Matrices  367 
Approximation Methods  381 
MATHCHAPTER H Matrix Eigenvalue Problems  427 
ManyElectron Atoms  435 
One and TwoElectron  499 
CHAPTER11 Qualitative Theory of Chemical Bonding  559 
The HartreeFockRoothaan Method  607 
Answers to the Numerical Problems  663 
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Common terms and phrases
angular momentum approximation atomic orbitals basis set Bohr bond length bond order called carbon atom Chapter classical coefficients computational consider constant corresponding curve density derive diatomic molecule differential equation dipole discuss eigenfunctions eigenvalues electron configuration energy levels equal evaluate EXAMPLE frequency Gaussian functions given by Equation gives groundstate electron configuration groundstate energy Hamiltonian operator harmonic oscillator HartreeFock HartreeFockRoothaan helium helium atom Hermitian hydrogen atom integral interaction kinetic energy linear combination magnetic field mass MathChapter matrix method minimal basis set molecular orbital theory molecular term symbols notation nuclei obtain orthogonal orthonormal particle perturbation theory physical plotted potential energy quantity Quantum Chemistry quantum mechanics quantum number radiation rotational Schrodinger equation Section Show shown in Figure sin2 Slater determinants Slater orbitals SOLUTION solve spatial spectrum spin orbitals symmetry term symbols transitions trial function vector vibrational wave function wavelength write zero