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Quantum chemistry/ John P. Lowe and Kirk A. Peterson

By: Lowe, John P Contributor(s): Peterson, Kirk A Publication details: Burlington: Elsevier Academic Press, 2006Edition: 3rd edDescription: xxii, 703 p. : ill. ; 27 cmISBN: 9780124575516; 9789382291039Subject(s): Quantum chemistry | ChemistryDDC classification: 541.28

Contents:

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.

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Holdings
Item type	Current library	Call number	Status	Date due	Barcode	Item holds
General Books	Central Library, Sikkim University General Book Section	541.28 LOW/Q (Browse shelf(Opens below))	Available		49588

Total holds: 0

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.

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