## Details of CH3103 (Autumn 2019)

Level: 3 |
Type: Theory |
Credits: 4.0 |

Course Code | Course Name | Instructor(s) |
---|---|---|

CH3103 |
Quantum Chemistry II |
Ashwani Kumar Tiwari |

Syllabus |
---|

1. Hydrogen Atom: Power-series solution and Ladder Operator Approach.
2. Variational Methods: Proof of theorem, linear variation method, variational treatment of Helium atom. 3. Perturbation Theory: First and second order corrections to wave function and energy for non-degenerate states, perturbation theory for degenerate energy level, application of perturbation theory to Helium and Lithium atoms, time-dependent perturbation theory. 4. Many-Electron atoms: Concept of spins, Pauli-exclusion principle, Slater determinants, Hartree-Fock for atoms, Concept of electron correlations, Term Symbols. 5. Molecules: BO approximation, concepts of adiabatic and non-adiabatic approximations, VB and MO methods, solutions for H2 and H2+ molecules, Term symbol for diatomic molecules. 6. TDQM and Reaction Dynamics: Introduction to transition state and quantum dynamical theories for reaction dynamics. |

References |
---|

1. Quantum Chemistry by I. N. Levine, Prentice-Hall, New Jersey, (2000).
2. Quantum Mechanics by D.W. McQuarrie, Oxford University Press, Oxford, (1983). 3. Molecular Quantum Mechanics by P.W. Atkins and R. S. Friedman, Oxford University Press, Oxford, (1996). |

#### Course Credit Options

Sl. No. | Programme | Semester No | Course Choice |
---|---|---|---|

1 | IP | 1 | Core |

2 | IP | 3 | Not Allowed |

3 | IP | 5 | Not Allowed |

4 | MR | 1 | Not Allowed |

5 | MR | 3 | Not Allowed |

6 | MS | 5 | Core |

7 | RS | 1 | Not Allowed |

8 | RS | 2 | Not Allowed |