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NPTEL

Quantum Chemistry of Atoms and Molecules

NPTEL and Indian Institute of Technology Bombay via YouTube

Syllabus

Course Introduction Quantum Chemistry of Atoms and Molecules.
Week 1-Lecture 1 : Basic Introduction.
Week 1-Lecture 2 : Bohr Model and Beyond….
Week 1-Lecture 3 : The wave nature of matter.
Week 1-Lecture 4 : Ground Rules: Postulates of Quantum mechanics : Part I.
Week 1-Lecture 5 : Ground Rules: Postulates of Quantum mechanics : Part II.
Week 2-Lecture 6 : Particle in a box: Part I.
Week 2 : Lecture 7 : Particle in a box: Part II.
Week 2-Lecture 8 : Particle in a box: Part III.
Week 2-Lecture 9 : Particle in a box: Uncertainity Priciple.
Week 2-Lecture 10 : Particle in a box: Uncertainity Priciple- Continued.
Week 2-Lecture 11 : Quantum Mechanical Tunneling.
Week 3-Lecture 12 : Harmonic Oscillator: Part 1.
Week 3-Lecture 13 : Harmonic Oscillator: Part 2.
Week 3-Lecture 14 : Harmonic Oscillator: Part 3.
Week 3-Lecture 15 : Harmonic Oscillators: Wave Functions and Recursion formulae.
Week 3-Lecture 16 : Harmonic Oscillators: Wave Functions and Recursion formulae…..Continued.
Week 3-Lecture 17 : Harmonic Oscillators: Conclusions.
Week 4-Lecture 18 : Rigid Rotor: Part 1.
Week 4-Lecture 19 : Rigid Rotor: Part 2.
Week 4-Lecture 20 : Rigid Rotor: Part 3.
Week 4-Lecture 21 : Polar Plots of Spherical Harmonics.
Week 4-Lecture 22 : Angular Momentum.
Week 4-Lecture 23 : Angular Momentum…Continued.
Week 5-Lecture 24 : Hydrogen Atom: Schrodinger Equation.
Week 5-Lecture 25 : Hydrogen Atom: Schrodinger Equation….Continued.
Week 5-Lecture 26 : Hydrogen atom: Quantum numbers.
Week 5-Lecture 27 : Radial Probability distribution functions.
Week 5-Lecture 28 : Hydrogen atom wavefunctions: s orbitals.
Week 5-Lecture 29 : 2s orbital.
Week 5-Lecture 30 : 2p orbitals.
Week 5-Lecture 31 : 3pz and 3d orbitals.
Week 6-Lecture 32 : Atomic orbitals and orbital approximation.
Week 6-Lecture 33 : Multi electron atoms.
Week 6-Lecture 34 : He atom wavefunction.
Week 6-Lecture 35 : Excited states of many electron atoms.
Week 7-Lecture 36 : Introduction to Perturbation theory.
Week 7-Lecture 37 : Scope of Perturbation theory.
Week 7-Lecture 38 : Application of Perturbation theory: Anharmonic oscillator.
Week 7-Lecture 39 : Higher order perturbations.
Week 7-Lecture 40 : Perturbation theory for non-degenerate states.
Week 7-Lecture 41 : Perturbation Theory for degenerate states.
Week 7-Lecture 42 : Application of Perturbation Theory for degenerate States.
Week 8-Lecture 43 : Variation Method.
Week 8-Lecture 44 : Variational Method- Continued…..
Week 8-Lecture 45 : Variational calculations for Harmonic Oscillator and Particle in a Box.
Week 8-Lecture 46 : Secular equations in Variational calculations.
Week 8-Lecture 47 : Secular equations for particle in a box.
Week 8-Lecture 48 : Variational calculation for particle in a box…..continued.
Week 9-Lecture 49 : Perturbation theory for many electron atoms.
Week 9-Lecture 50 : Variational method for many electron atoms.
Week 9-Lecture 51 : Hartree-Fock Equations and Self Consistent Fields.
Week 9-Lecture 52 : Hartree-Fock Equations for He.
Week 9-Lecture 53 : Hartree-Fock Equations for He: Part2.
Week 9-Lecture 54 : Electronic Wavefunctions of He atom.
Week 10-Lecture 55 : Valance Bond Theory and homonuclear diatomics: Part1.
Week 10-Lecture 56 : Valance Bond Theory and homonuclear diatomics: Part2.
Week 10-Lecture 57 : Molecular shape and hybrid orbitals.
Week 10-Lecture 58 : sp2 hybridization.
Week 10-Lecture 59 : sp3 hybridization.
Week 11-Lecture 60 : Non-equivalent hybrid orbitals.
Week 11-Lecture 61 : Molecular Orbital Theory for H2+.
Week 11-Lecture 62 : Molecular orbital theory for homonuclear diatomic molecules.
Week 11-Lecture 63 : Beyond Homonuclear diatomic molecules.
Week 11-Lecture 64 : MOT for polyatomic molecules.
Week 12-Lecture 65 : Huckel MOT-1.
Week 12-Lecture 66 : Huckel MOT-2.
Week 12-Lecture 67 : The last word.

Taught by

IIT Bombay July 2018

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