Quantum Computational Chemistry

Part I. Theoretical Background of Quantum Chemistry

1. Quantum Theory
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2. Atomic Orbital
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3. Hartree-Fock Method
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4. Basis Function
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5. Orbital Analysis
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6. Electron Correlation
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Part II. Atomic Orbital, and Molecular Orbital of Diatomic Molecule

7. Atomic Orbital Calculation
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8. Molecular Orbital Calculation of Diatomic Molecule
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Part III. Theoretical Background of Inorganic Chemistry

9. Model Construction
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10. Superexchange Interaction
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11. Ligand Bonding Effect
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Part IV. Advanced Inorganic Materials

12. Photocatalyst
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13. Secondary Battery: Lithium Ion and Sodium Ion Conductions
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14. Solid Oxide Fuel Cell: Oxide Ion and Proton Conductions
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Part V. Helium Chemistry and Future

15. Helium Chemistry
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16. Summary and Future
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Avainsanat: Chemistry, Theoretical and Computational Chemistry, Electrochemistry, Catalysis, Organic Chemistry