SEMESTER_05 (Calcutta University)
Course Syllabus
(Total 20 Lectures & 4 Mock Tests )
Quantum Chemistry II
Simple Harmonic Oscillator:Setting up of One dimensional Schrödinger equation and discussion of solution and wave functions. Classical turning points, Expectation values of x, x2, px and px2 .
Angular momentum: Commutation rules, quantization of square of total angular momentum and z-component; Rigid rotator model of rotation of diatomic Molecule; Schrödinger equation, transformation to spherical polar coordinates; Separation of variables. Spherical harmonics; Discussion of solution.
Hydrogen atom and hydrogen-like ions: Setting up of Schrödinger equation in spherical polar coordinates, Separation of variables, Solution of angular Part (φ part only), quantization of energy (only final energy expression); Real wave functions. Average and most probable distances of electron from nucleus; Setting up of Schrödinger equation for many-electron atoms (He, Li)Need for approximation methods. Statement of variation theorem and application to simple systems(particle-in a- box, harmonic oscillator, hydrogen atom).
LCAO :Born-Oppenheimer approximation. Covalent bonding, valence bond and molecular orbital approaches, LCAO-MO treatment of H2+; Bonding and antibonding orbitals; Qualitative extension to H2; Comparison of LCAO-MO and VB treatments of H2 and their limitations.( only wave functions, detailed solutionnot required) and their limitations.
Statistical Thermodynamics
Configuration: Macrostates, microstates and configuration; calculation with harmonic oscillator; variation of W with E; equilibrium configuration Boltzmann distribution: Thermodynamic probability, entropy and probability, Boltzmann distribution formula (with derivation); Applications to barometric distribution; Partition function, concept of ensemble – canonical ensemble and grand canonical ensembles.
Partition function: molecular partition function and thermodynamic properties, 3rd law: Absolute entropy, Plank’s law, Calculation of entropy, Nernst heat theorem Adiabatic demagnetization: Approach to zero Kelvin, adiabatic cooling, demagnetization, adiabatic demagnetization – involved curves
Numerical Analysis
Roots of Equation:Numerical methods for finding the roots of equations: Quadratic Formula, Iterative Methods (e.g., Newton Raphson Method). Least-Squares Fitting.Numerical Differentiation.Numerical Integration ( Trapezoidal and Simpson’s Rule)
Reference Books
- Levine, I. N. Physical Chemistry, 6th Edition McGraw-Hill India
- Castellan, G. W. Physical Chemistry, Narosa
- McQuarrie, D. A. & Simons, J. D. Physical Chemistry: A Molecular Approach, Viva Press
- Kapoor K.L, A Text Book Of Physical Chemistry , McGraw Hill India
- Engel, T. & Reid, P. Physical Chemistry, 3rd Edition Pearson India
- Atkins, P. W. & Paula, J. de Atkins’ Physical Chemistry, 10th Edition Oxford University Press
- Levine, I. N. Quantum Chemistry, 7th Edition,Pearson India
- Maron, S. & Prutton Physical Chemistry
- Ball, D. W. Physical Chemistry, Thomson Press
- Mortimer, R. G. Physical Chemistry, Elsevier
- Glasstone, S. & Lewis, G.N. Elements of Physical Chemistry
- Rakshit, P.C., Physical Chemistry Sarat Book House
- Klotz, I.M., Rosenberg, R. M. Chemical Thermodynamics:Basic Concepts and Methods , Wiley
- Sannigrahi A.B, Quantum Chemistry,2nd Edition, Books and Allied Pvt Ltd.
- Atkins, P. W. Molecular Quantum Mechanics, 5th edition ,Oxford
- Moore, W. J. Physical Chemistry, Orient Longman
- Nash, L. K. Elements of Statistical Thermodynamics, Dover
- V. Rajaraman, Computer Oriented Numerical Methods, PHI Learning, 2013
- V. Rajaraman, Computer Programming in FORTRAN 77, Prentice Hall, 1997
- Martin Cwiakala, Schaum’s Outline of Programming with FORTRAN 77, 1995
Course Features
- Students 380 students
- Max Students500
- Duration24 week
- Skill leveladvanced
- LanguageEnglish
- Re-take courseN/A
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Advanced Quantum Chemistry
AR Sir's Lectures on Physical Chemistry (Aspiration Academy)
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Statistical Thermodynamics
AR Sir's Lectures on Physical Chemistry (Aspiration Academy)
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Numerical Analysis
AR Sir's Lectures on Physical Chemistry (Aspiration Academy)
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Question & Answer Discussion Session
AR Sir's Lectures on Physical Chemistry (Aspiration Academy)
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