Advanced Quantum Chemistry (D. Yokogawa)

Advanced Quantum Chemistry (D. Yokogawa)

Fall semester: Every Wednesday, 2nd period (10:30-12:00), School of Science Building B-116, 1st floor

Class Materials:

To download the PDF files on this page, please enter userid: qcguest and the password provided in the class.
1. Born-Oppenheimer approximation (PDF)
2. LCAO-MO theory; Hartree-Fock theory (PDF)
3. The electron correlation problem (PDF)
4. Basis sets in quantum chemical calculations (PDF)
5. Density-based methods: Kohn-Sham theory, density functional theory (DFT) (PDF)
6. Molecular mechanics (PDF)
7. Solvation theories: How to treat large number of particles (PCM, QM-MM/MD, and RISM) (PDF)

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