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Basic Quantum Chemistry for BSc Chemistry

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Foundation of Quantum Mechanics:

Beginning of Quantum Mechanics: Wave-particle duality, light as particles: photoelectric and Compton effects; electrons as waves and the de Broglie hypothesis; Uncertainty relations etc.
Wave function: Schrodinger time-independent equation; nature of the equation, acceptability conditions imposed on the wave functions and probability interpretations of wave function.
Concept of Operators: Elementary concepts of operators, eigenfunctions and eigenvalues; Linear operators; Commutation of operators, commutator and uncertainty relation; Expectation value; Hermitian operator; Postulates of Quantum Mechanics.
Particle in a box: Setting up of Schrodinger equation for one-dimensional box and its solution; Comparison with free particle eigenfunctions and eigenvalues. Properties of PB wave functions (normalisation, orthogonality, probability distribution); Expectation values of x, x2, px and px2 and their significance in relation to the uncertainty principle; Extension of the problem to two and three dimensions and the concept of degenerate energy levels.
Simple Harmonic Oscillator: setting up of the Schrodinger stationary equation, energy expression (without derivation), expression of wave function for n = 0 and n = 1 (without derivation) and their characteristic features.

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.
Qualitative treatment of hydrogen atom and hydrogen-like ions: Setting up of Schrödinger equation in spherical polar coordinates, radial part, quantization of energy (only final energy expression); Average and most probable distances of electron from nucleus; Setting up of Schrödinger equation for many-electron atoms (He, Li)

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Tamal Goswami

Ph.D. in Chemistry from University of North Bengal in 2016

5 Years of Experience

I am presently working as assistant professor in chemistry (on contract) at Raiganj University, Raiganj, West Bengal. I teach B.Sc. and M.Sc. classes in chemistry. I have specialization in Physical Chemistry. I have taught in NIT Sikkim previously. I have Ph.D. degree in Theoretical and Computational chemistry.

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