Chemistry: Atomic Structure and Chemical Bonding

By Prof. K. Mangala Sunder   |   IIT Madras
Learners enrolled: 265
The course is a rigorous introduction to principles of quantum chemistry and also describes all mathematical details at the introductory level, accurately however. It is limited to elementary model problems, angular momentum and spin and an introduction to chemical bonding in one and two-electron systems.

PRE-REQUISITES: Mathematics –integral and differential calculus (minimally, one variable), elementary first order differential equations and Matrix algebra—Eigenvalue –eigen vector analysis;
Introduction to modern physics –Planck’s radiation law, Einstein’s theory on photoelectric effect and wave particle duality.

INDUSTRY SUPPORT: This is a core course. I do not expect any industry to be a specific sponsor
Course Status : Upcoming
Course Type : Core
Duration : 12 weeks
Start Date : 24 Jan 2022
End Date : 15 Apr 2022
Exam Date : 23 Apr 2022 IST
Category :
  • Chemistry
Credit Points : 3
Level : Undergraduate/Postgraduate

Course layout

Week 1 : Historical introduction to Quantum chemistry; a brief description of Planck’s radiation law, study of photoelectric effect by Einstein, Hydrogen atom model by Niels Bohr and formal introduction to matter waves through de Broglie’s proposal
Week 2 : The time dependent and time independent Schrödinger wave equation. Simple illustrations using matter waves. 
Week 3 : The particle in a one dimensional and multi-dimensional potential-free box. Solutions and interpretations. Definitions of expectation values and probabilities.
Week 4 : Particle on a ring and angular momentum in quantum mechanics. Introduction to the abstract concept of spins and abstract states in quantum mechanics.
Week 5 : The harmonic oscillator, eigenvalues and eigenfunctions. 
Week 6 : Introduction to vectors through matrices. Linear vector spaces and matrix methods for vectors.
       Special matrices, eigenvalues and eigenvectors of matrix and the relation to quantum mechanics.
Week 7 : The hydrogen atom. Formulation of the problem and separation of the Schrödinger equation using spherical polar coordinates.
Week 8 : The hydrogen atom. Solutions of the Schrödinger equation and their visualizations. Expectation value calculations.
Week 9 : Elementary Introduction to angular momentum in quantum mechanics and the spin states of two coupled spin-1/2 systems (two-electron spin states).
Week 10 : Born-Oppenheimer approximation and introduction to bonding concepts. The hydrogen molecule ion and simple analysis of molecular states.
Week 11 : The hydrogen molecule and the concept of linear combination of atomic orbitals.
Week 12 : Review and Summary.

Books and references

1. Quantum Chemistry by Donald A. McQuarrie, Viva Books, 2011, Indian Edition.
2. Quantum Chemistry by R. K. Prasad, New Age Publications, 2011.
3. Mathematics for Physical Chemistry by D. A. McQuarrie, University Science Books, 2008.

Instructor bio

Prof. K. Mangala Sunder

IIT Madras
Mangala Sunder Krishnan is a Professor in the Chemistry Department and specializes in the area of theoretical molecular and magnetic resonance spectroscopies, quantum chemistry and quantum information. He obtained his Ph. D. in theoretical chemistry from McGill University, Montreal, Canada in 1988 and has spent several years in Canada as post-doctoral research fellow in Canada before returning to India as a faculty in IIT Madras. In addition, he is one of the founder-coordinators of the NPTEL project and has been associated with it since 2001.

Course certificate

The course is free to enroll and learn from. But if you want a certificate, you have to register and write the proctored exam conducted by us in person at any of the designated exam centres.
The exam is optional for a fee of Rs 1000/- (Rupees one thousand only).
Date and Time of Exams: 23 April 2022 Morning session 9am to 12 noon; Afternoon Session 2pm to 5pm.
Registration url: Announcements will be made when the registration form is open for registrations.
The online registration form has to be filled and the certification exam fee needs to be paid. More details will be made available when the exam registration form is published. If there are any changes, it will be mentioned then.
Please check the form for more details on the cities where the exams will be held, the conditions you agree to when you fill the form etc.


Average assignment score = 25% of average of best 8 assignments out of the total 12 assignments given in the course.
Exam score = 75% of the proctored certification exam score out of 100

Final score = Average assignment score + Exam score

YOU WILL BE ELIGIBLE FOR A CERTIFICATE ONLY IF AVERAGE ASSIGNMENT SCORE >=10/25 AND EXAM SCORE >= 30/75. If one of the 2 criteria is not met, you will not get the certificate even if the Final score >= 40/100.

Certificate will have your name, photograph and the score in the final exam with the breakup.It will have the logos of NPTEL and IIT Madras. It will be e-verifiable at nptel.ac.in/noc.

Only the e-certificate will be made available. Hard copies will not be dispatched.

Once again, thanks for your interest in our online courses and certification. Happy learning.

- NPTEL team

MHRD logo Swayam logo


Goto google play store