ABOUT THE COURSE:This course deals with the fundamental concepts of Quantum mechanics and its application in Chemistry. We will begin with the state of physical science at the end of twentieth century when there were several experimental observations which couldnt be explained within the realm of classical mechanics. One by one we will try to understands these observations and the issues related to them within the confines of classical mechanics. In order to explain one of these observations namely “variation of intensity with wavelength of emitted light from a black body” Plank’s used the concept of Quantization which in the next twenty-five years resulted into a new paradigm shift of physics called era of Quantum mechanics. We will learn how the quantum mechanics was able to explain these observations and further utilized to explain electronic structures of atoms and molecules.INTENDED AUDIENCE: UG and PG Chemistry Students.PREREQUISITES: 10+2 PCM, Mathematics course at the +2 or B.Sc. level.
Overview
Syllabus
Week 1:Failures of Classical Mechanics, Black Body Radiation, Photoelectric effect, Specific heat of monoatomic solids, Line spectra of Hydrogen atom and Bohr’s ModelWeek 2:Compton shift, Heisenberg uncertainty Principle, Particle wave duality, de-Broglie’s theory, Schrodinger wave equation, Physical significance of wave-function.Week 3:Postulates of quantum mechanicsWeek 4:Particle in a one-dimensional box and three-dimensional box. Tunnelling effect. Related problems and solution Week 5:Simple Harmonic Oscillator and Rigid Rotor Week 6:Hydrogen atom Week 7:Polyelectronic system, Concept of angular momentum, Ladder Operators Week 8:Russel-Saunder’s term and spin-orbit coupling scheme, term separation energies for the pn and dn configuration. Week 9:Approximation methods in Quantum mechanics, Variation methods applied to the one-dimensional box and hydrogen atom. Week 10:H2+-molecule ions and secular determinants Week 11:HMO approximation for Ethylene, Allyl system, Cyclopropene and Butadiene Week 12:Perturbation theory, First order Perturbation to eigenvalue and eigenfunctions for non-degenerate systems.
Taught by
Prof. Md. Shahid Nayeem
