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Introduction
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Quantum Mechanics of Atoms
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Ground State Energy
 
Contents
 
Index
Molecules
Subsections
Introduction
Model Hamiltonian
The Born-Oppenheimer Approximation
Derivation
Unsuccessful Attempt
More Successful Attempt
Discussion of the Born-Oppenheimer Approximation
Adiabaticity and Geometric Phases
Breakdown of the Born-Oppenheimer Approximation
The Hydrogen Molecule Ion
Hamiltonian for
The Rayleigh-Ritz Variational Method
Bonding and Antibonding
Rayleigh-Ritz Results
Explicit Calculation of
,
,
Symmetries of MOs in LCAO
Molecular Potential Energy
Hartree-Fock for Molecules
Roothan Equations
Tobias Brandes 2005-04-26