Details of CH4111 (Autumn 2025)
| Level: 4 | Type: Theory | Credits: 4.0 |
| Course Code | Course Name | Instructor(s) |
|---|---|---|
| CH4111 | Quantum Theory of Atoms and Molecules | Amlan Kusum Roy |
| Syllabus |
|---|
| 1. Step and Barrier Problems
Potential step, Potential barrier, Tunnel effect 2. Matrix mechanics Basis and representation, Matrix Representation of operators, Change of basis, Unitary and similarity transformation in quantum mechanics, Energy representation, Angular momentum matrices, Pauli spin matrices. 3. Angular Momentum of composite systems Eigenvalues and eigenfunctions of angular momentum operators, Commutation relations, Coupled state, Addition of angular momentum, Total angular momentum of two or more electrons. 4. Approximate Methods Variational Principle, Variational treatment of He atom, Rayleigh ratio, Rayleigh-Ritz method, Hellmann-Feynman theorem, Perturbation theory of first and second order, Application to He atom. 5. Symmetry and Group Theory Properties of a group, Subgroup and Class, Symmetry elements and operations, Symmetry point groups, Matrix Representation of Groups, Reducible and Irreducible Representations, Great Orthogonality Theorem and Its Consequences, Character Tables 6. Many-electron atom Spectrum of atomic H, Selection rule, Orbital and spin magnetic moment, Spin-Orbit coupling, Electron spin and Pauli exclusion -principle, Antisymmetry and Stater determinant, Singlet and triplet states of 1s2s configuration of He, Central-field approximation, Aufbau Principle, Slater atomic orbitals, Term symbols and transitions in atoms, Zeemanan and Stark effect. |
| References |
|---|
| References:
1) I. N. Levine, Quantum Chemistry, Prentice-Hall, New Jersey (2013). 2) Frank L. Pilar, Elementary Quantum Chemistry, Dover, NY. 3) George C. Satz and Mark A. Ratner, Quantum Mechanics in Chemistry, Dover (2002) 4) P. W. Atkins and R. S. Friedman, Molecular Quantum Mechanics, Oxford Univ, Press (2011). 5) A. Szabo and N. S. Ostlund, Modern Quantum Chemistry; Introduction to Advanced Electronic Structure Theory, Dover (1996). |
Course Credit Options
| Sl. No. | Programme | Semester No | Course Choice |
|---|---|---|---|
| 1 | IP | 1 | Not Allowed |
| 2 | IP | 3 | Not Allowed |
| 3 | MP ( Chemical Sciences ) | 1 | Core |
| 4 | MP | 3 | Not Allowed |
| 5 | MR | 1 | Elective |
| 6 | MR | 3 | Not Allowed |
| 7 | MS | 3 | Not Allowed |
| 8 | MS | 5 | Not Allowed |
| 9 | MS | 7 | Not Allowed |
| 10 | MS | 9 | Not Allowed |
| 11 | RS | 1 | Elective |
| 12 | RS | 2 | Elective |