Course Objectives:
This course will enable the students to –
learn principal concepts of quantum mechanics.
establish relationship between physical properties and molecular structure.
understand basic concept and applications of computational chemistry.
Course Outcomes (COs):
Course |
Learning outcomes (at course level) |
Learning and teaching strategies |
Assessment Strategies |
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Paper Code |
Paper Title |
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CHY 503 |
Introduction to Quantum Mechanics
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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 |
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.
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.
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.
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.
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.