Titlebook: Quantum Mechanics for Chemistry; Seogjoo J. Jang Textbook 2023 The Editor(s) (if applicable) and The Author(s), under exclusive license to

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Polyatomic Molecules and Molecular Spectroscopy,lation of adiabatic electronic states for fixed nuclear coordinates. Taking diatomic molecules as examples, independent electron model and the approximation of linear combination of atomic orbitals as molecular orbitals (LCAO-MO) are described, and the molecular term symbols for corresponding electr

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Special Topics,stem quantum dynamics and quantum master equation approaches; (iii) Green’s function approach. These topics have played important roles in theoretical and computational investigation of quantum processes in complex environments. Some of the core concepts and relations will be derived and explained.

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Rotational States and Spectroscopy,description of rotational motion of diatomic molecules as free rigid rotors. Important principles concerning pure rotational transitions and those accompanying vibrational transitions are explained. Corrections for rigid rotor states, incorporating the effects of centrifugal distortion and ro-vibrational coupling, are provided as well.

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Quantum Dynamics of Pure and Mixed States,ty operator and extension of the time dependent Schrödinger equation to the quantum Liouville equation become necessary. Application of the perturbation theory to this quantum Liouville equation is presented as well.

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Concepts and Assumptions of Quantum Mechanics,uation defined in a one dimensional space are introduced along with their major properties. The chapter concludes with a solution of a quantum particle in a one dimensional box in order to illustrate the major concepts and ideas of quantum mechanics.

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