Quantum ChemistryLowe's new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate selfstudy and solutions to selected exercises.

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Contents
Classical Waves and the TimeIndependent Schrodinger Wave Equation  1 
Quantum Mechanics of Some Simple Systems  27 
The OneDimensional Harmonic Oscillator  69 
The Hydrogenlike Ion Angular Momentum and the Rigid Rotor  89 
ManyElectron Atoms  127 
Postulates and Theorems of Quantum Mechanics  166 
The Variation Method  190 
The Simple Huckel Method and Applications  244 
Qualitative Molecular Orbital Theory  484 
Molecular Orbital Theory of Periodic Systems  526 
Useful Integrals  582 
Angular Momentum Rules  591 
The Pairing Theorem  601 
Derivation of the HartreeFock Equation  614 
The Virial Theorem for Atoms and Diatomic Molecules  626 
Braket Notation  629 
Splitting Constants  271 
Matrix Formulation of the Linear Variation Method  308 
The Extended Huckel Method  324 
The SCFLCAOMO Method and Extensions  348 
TimeIndependent RayleighSchrodinger Perturbation Theory  391 
Group Theory  429 
Appear  465 
Values of Some Useful Constants and Conversion Factors  631 
Group Theoretical Charts and Tables  638 
Hints for Solving Selected Problems  651 
Answers to Problems  654 
Index  691 
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Common terms and phrases
angular momentum antibonding antisymmetric atomic orbitals average axis band basis functions basis set benzene Bloch sums bond lengths bond order butadiene calculation carbon Chapter charge Chem coefﬁcients conﬁguration constant coordinates correlation corresponding deﬁned deﬁnition degenerate density diagram dipole eigenfunctions eigenvalues electron elements energy levels equal evaluate example exponential Figure ﬁnd ﬁnding ﬁnite ﬁrst order gaussian functions gives H¨uckel hamiltonian Hence hydrogen hydrogen atom indicated inﬁnite integral interactions internuclear kinetic energy linear combination lowest lowestenergy magnetic ﬁeld matrix method molecular orbital molecule node nondegenerate normalized nucleus onedimensional oneelectron orbital energies orthogonal overlap pair particle perturbation plane polyacetylene position predict problem produce quantum number reﬂection representation repulsion rotation shown in Fig sketched solutions spin STOs symbol symmetry operations Table total energy unit cell vanish variation vectors wave wavefunction zero