Introduction to quantum chemistry, molecular orbitals and bonding. The Schrodinger equation and its solutions for some simple systems. Wavefunctions, one-electron and multielectron atoms and molecules, rotation and vibration of molecules. Molecular orbitals and bonding in diatomic and polyatomic molecules. Molecular symmetry , structure, and spectroscopy.
課程內容
單元 內容
單元一 Origins of quantum mechanics
單元二 The Schrodinger wave equation
單元三 Quantum operators and observables
單元四 The hydrogen atom
單元五Approximation methods for multielectron atoms
單元六 Diatomic molecules
單元七Polyatomic molecules and chemical bonds
單元八 Translations, rotations and vibrations
單元九Optical spectroscopy and photochemistry
單元十 Magnetic resonance spectroscopy
單元十一Miscellaneous topics in quantum chemistry
課程書目
Physical Chemistry 3rd edition, Mortimer, 2008
[99學年第1學期物理化學（三）也使用這本教科書]
參考書目
Physical Chemistry 2nd edition, Engel and Reid, Pearson 2010
Physical Chemistry, McQuarrie and Simon, 1997
Atkins Physical Chemistry 7th edition, Atkins and Paula, 2002
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