Quantum Chemistry
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Academic Press, Inc., San Diego, Second edition, (1993)

This is an introductory quantum mechanics book for chemists and has an emphasis on the computational methods used in quantum chemistry. Topics include: classical waves and the time-independent wave equation; quantum mechanics of some simple systems; the one-dimensional harmonic oscillator; the hydrogen-like ion; angular momentum and the rigid rotor; many-electron atoms; postulates and theorems of quantum mechanics; the variation method; the simple Hückel method and applications; matrix formulation of the linear variation method; the extended Hückel method; the SCF-LCAO-MO method and extensions; time-independent Rayleigh-perturbation theory; group theory; qualitative molecular orbital theory, and molecular orbital theory of periodic systems. Appendices of useful integrals, determinants, evaluations of the Coulomb repulsion integral, angular momentum rules, the pairing theorem, Hückel molecular orbital energies, coefficients, electron densities and bond orders for some simple molecules, derivation of the Hartree-Fock equation, the virial theorem for atoms and diatomic molecules, bra-ket notation, values of some useful constants and conversion factors, group theoretical charts and tables, hints for solving selected problems, and answers to problems are also included.
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