CHEM 555 Applied Quantum Chemistry
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The hydrogen molecule, valence bond theory, the nature of the chemical bond. Hartree-Fock theory for molecules, basis sets, Koopmans' theorem. Population analysis, electron correlation. Density functional theory, perturbation theory, configuration interaction, and multireference methods. Applications with quantum mechanical calculations.
Credit units: 3 ECTS Credit units: 5.
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