TY  - GEN
AU  - Lowe, John P.
AU  - Peterson, Kirk A.
TI  - Quantum chemistry
SN  - 9780124575516
U1  - 541.28 
PY  - 2006///
CY  - Burlington
PB  - Elsevier Academic Press
KW  - Quantum chemistry
KW  - Chemistry
N1  - Classical waves and the time-independent Schrodinger wave equation --
Quantum mechanics of some simple systems --
The one-dimensional harmonic oscillator --
The hydrogenlike ion, angular momentum, and the rigid rotor --
Many-electron atoms --
Postulates and theorems of quantum mechanics --
The variation method --
The simple Huckel method and applications --
Maxtrix formulation of the linear variation method --
The extended Huckel method --
The SCF-LCAO-MO method and extensions --
Time-independent Rayleigh-Schrodinger perturbation theory --
Group theory --
Qualitative molecular orbital theory --
Molecular orbital theory of periodic systems --
Appendix 1: Useful integrals --
Appendix 2: Determinants --
Appendix 3: Evaluation of the Coulomb repulsion integral over 1s AOs --
Appendix 4: Angular momentum rules --
Appendix 5: The Pairing theorem --
Appendix 6: Hückel molecular orbital energies, coefficients, electron densities, and bond orders for some simple molecules --
Appendix 7: Derivation of the Hartree-Fock equation --
Appendix 8: The virial theorem for atoms and diatomic molecules --
Appendix 9: Bra-Ket notation --
Appendix 10: Values of some useful constants and conversion factors --
Appendix 11: Group theoretical charts and tables --
Appendix 12: Hints for solving selected problems --
Appendix 13: Answers to problems
ER  -