Introduction to Quantum Mechanics

Paper Code: 
CHY-503
Credits: 
2
Contact Hours: 
30.00
Max. Marks: 
100.00
Objective: 

Course Objectives:

This course will enable the students to –

  1. learn principal concepts of quantum mechanics.

  2. establish relationship between physical properties and molecular structure.

  3. understand basic concept and applications of computational chemistry.

Course Outcomes (COs):

Course

Learning outcomes

(at course level)

Learning and teaching strategies

Assessment Strategies

Paper Code

Paper Title

CHY 503

Introduction to Quantum Mechanics

 

The students will be able to –

 

CO88: develop an understanding of quantum mechanical operators, concepts of quantization, wave function and postulates of quantum mechanics.

CO89: solve Schrodinger’s wave equation for hydrogen atom and discuss the concepts of quantum numbers.

CO90: normalize simple wave function and calculate average physical property for system like energy, momentum etc.

CO91: apply quantum mechanical approach for chemical Bonding theories.

CO92: learn the basic concepts of computational chemistry.

Interactive Lectures

Discussion

 

Tutorials

 

Reading assignments

 

Demonstration

 

Revision in form of interactive quiz

 

The oral and written      examinations (Scheduled and surprise tests)

 

Closed-book and open-            book tests

 

Problem-solving exercises

 

Assignments

 

Quiz

 

Semester End Examination

 

 

7.00
Unit I: 
Elementary Quantum Mechanics

Black-body radiation, Planck’s radiation law, photoelectric effect, Bohr’s model of hydrogen atom (no derivation) and its defects, Compton effect, de Broglie hypothesis, Heisenberg’s uncertainty principle, heat capacity of solids.

Sinusoidal wave equation, operators, Hamiltonian operator, eigen function, eigen values, Schrodinger wave equation and its importance, physical interpretation of the wave function, postulates of quantum mechanics.

6.00
Unit II: 
Applications of Quantum Mechanics

Particle in one dimensional and its extension to threedimensional box, Schrodinger wave equation for H-atom, separation into three equations (without derivation), quantum numbers and their importance, hydrogen like wave functions, radial and angular wave functions, selection rule and spectra of Hydrogen atom.

9.00
Unit III: 
Chemical bond: A Quantum Approach

Concept of s, s*, p, p* orbitals and their characteristics, introduction to valence bond model of H2, comparison of M.O. and V.B. models, molecular orbital theory, basic ideas- criteria for forming M.O.’s from A.O.’s, construction of M.O’s by LCAO (H2+ ion), calculation of energy levels from wave functions, physical picture of bonding and antibonding wave functions, hybrid orbitals – sp, sp2, sp3, calculation of coefficients of A.O.’s used in these hybrid orbitals.

4.00
Unit IV: 
Polarization

Dipole moment, induced dipole moment,orientation of dipoles in an electric field, dipole moment and structure of molecules, Clausius-Mossotti equation, measurement of dipole moment- temperature method and refractivity method.

5.00
Unit V: 
An Introduction to Computational Chemistry

An overview of computational chemistry, molecular mechanics, electronic structure method, semi-empirical, ab initio and density functional methods, principle of model chemistry, desirable features of a model chemistry.

References: 
  • A Textbook of Physical Chemistry; A.S. Negi, S.C. Anand; New Age International (P) Limited, New Delhi, 2007.
  • Quantum Chemistry Including Molecular Spectroscopy; Fourth Edition; B.K. Sen; Tata McGraw-Hill, Publishing Company Ltd, New Delhi, 2011.
  • Introductory Quantum Chemistry; Fourth Edition A. K.Chandra; Tata McGraw-Hill, 2017.
  • Quantum Chemistry; Fourth Edition; R.K. Prasad; New Age International (P) Ltd, New Delhi, 2009.
  • Physical Chemistry Through Problems; Second Edition;S.K. Dogra and S.Dogra; New Age International Pvt. Ltd, New Delhi, 2001.
  • Exploring Chemistry with Electronic Structure Methods; Second Edition; James B. Foresman and A. Frisch, Gaussian, Inc. Pittsburg, 1996.
Academic Year: