## Details of CH2102 (Autumn 2020)

Level: 2 |
Type: Theory |
Credits: 2.0 |

Course Code | Course Name | Instructor(s) |
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CH2102 |
Quantum Chemistry I |
Sangita Sen, Sourav Pal |

Preamble |
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This course intends to provide introductory concept of the different principles of Quantum Chemistry. |

Syllabus |
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Brief Introduction of Classical Mechanics, Failure of Classical Mechanics, Black Body Radiation, Classical Laws of Black Body Radiation, Plank's hypothesis, Photo-electric effect and concept of photon, Compton Effect, Hydrogen Atomic Spectra, Dual Character of Light, De Broglie's hypothesis, Concept of matter wave, Phase velocity and group velocity, Davison Germer's experiment, Heisenberg's Uncertainty Principle (7 lectures),
Postulates of Quantum Mechanics, Wave function for free particle, One-dimensional and three dimensional wave function, Physical interpretation of wavefunction, Stationary states, Linear operators, Eigenfunction equations, Hermitian operators, Operators in terms of matrices, Dirac notations, orthogonality of eigenfunctions (6 lectures), Simultaneous observables, Commutations of two operators, Time evolution operators, Ehrenfest's theorem (3 lectures), Solution for a particle in one, two and three dimensional box problem, Degeneracy, Parity operator (3 lectures), Solution for Simple Harmonic Oscillator problem (4 lectures), Solution for rigid rotor problem (4 lectures), Solution for hydrogen atom problem, Orbitals and mathematical functions (5 lectures). |

Prerequisite |
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Knowledge of classical mechanics, Linear vector space algebra. |

References |
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References:
1. Molecular Quantum Mechanics by Peter Atkins and Ronald Friedman, Oxford University Press, 5th Edition (2011). 2. Quantum Mechanics by B. H. Bransden and C. J. Joachain, Pearson, 2nd Edition, (2000). 3. Quantum Mechanics Theory and Applications by Ajoy Ghatak and S. Loganathan, Macmillan, 5th Edition, (2004). 4. Introduction to Quantum Mechanics by David J. Griffiths, Pearson, 2nd Edition, (2005). 5. Quantum Chemistry by Donald A. McQuarrie, University Science Books, (2003). 6. Quantum Chemistry and Spectroscopy by Thomas Engel (Third Edition) (2013). |

#### Course Credit Options

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

1 | IP | 1 | Not Allowed |

2 | IP | 3 | Not Allowed |

3 | IP | 5 | Not Allowed |

4 | MR | 1 | Not Allowed |

5 | MR | 3 | Not Allowed |

6 | MS | 3 | Core |

7 | RS | 1 | Not Allowed |

8 | RS | 2 | Not Allowed |