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    Course No. Chem. 312H Quantum Chemistry and Statistical Thermodynamics

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    Reddyprasad Kasetty
    This document outlines the course content for Chem. 312H, Quantum Chemistry and Statistical Thermodynamics. The course is worth 1/2 unit and 2 credits, with exams worth a total of 50 marks. The course covers quantum chemistry topics including the development of quantum mechanics, applications of quantum mechanics like the particle in a box, and approximate quantum chemistry methods. It also covers statistical thermodynamics topics like probability distributions, partition functions, and quantum statistics like Bose-Einstein and Fermi-Dirac statistics. Suggested reading materials are provided.

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    Course No. Chem. 312H Quantum Chemistry and Statistical Thermodynamics

    Uploaded by

    Reddyprasad Kasetty
    31 views1 page
    This document outlines the course content for Chem. 312H, Quantum Chemistry and Statistical Thermodynamics. The course is worth 1/2 unit and 2 credits, with exams worth a total of 50 marks. The course covers quantum chemistry topics including the development of quantum mechanics, applications of quantum mechanics like the particle in a box, and approximate quantum chemistry methods. It also covers statistical thermodynamics topics like probability distributions, partition functions, and quantum statistics like Bose-Einstein and Fermi-Dirac statistics. Suggested reading materials are provided.

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    This document outlines the course content for Chem. 312H, Quantum Chemistry and Statistical Thermodynamics. The course is worth 1/2 unit and 2 credits, with exams worth a total of 50 marks. The course covers quantum chemistry topics including the development of quantum mechanics, applications of quantum mechanics like the particle in a box, and approximate quantum chemistry methods. It also covers statistical thermodynamics topics like probability distributions, partition functions, and quantum statistics like Bose-Einstein and Fermi-Dirac statistics. Suggested reading materials are provided.

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    © All Rights Reserved
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    Download as docx, pdf, or txt
    31 views1 page

    Course No. Chem. 312H Quantum Chemistry and Statistical Thermodynamics

    Uploaded by

    Reddyprasad Kasetty
    This document outlines the course content for Chem. 312H, Quantum Chemistry and Statistical Thermodynamics. The course is worth 1/2 unit and 2 credits, with exams worth a total of 50 marks. The course covers quantum chemistry topics including the development of quantum mechanics, applications of quantum mechanics like the particle in a box, and approximate quantum chemistry methods. It also covers statistical thermodynamics topics like probability distributions, partition functions, and quantum statistics like Bose-Einstein and Fermi-Dirac statistics. Suggested reading materials are provided.

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    Course No. Chem.

    312H
    Quantum Chemistry and Statistical Thermodynamics

    Unit, 2 Credits
    35 + 10 + 5 = 50 Marks

    A: Quantum Chemistry
    1. Development of quantum mechanics: Failure of classical mechanics; black body radiation;
    photoelectric effect; Campton effect; de-Broglies concept of dual nature of electron; Heisenbergs
    uncertainly principle; Schrodinger wave equations; eigen values and eigen functions; normalization;
    orthogonality; operators; postulates of quantum mechanics.
    2. Application of quantum mechanics: particle in a one-dimensional box; electron in a ring; particle
    in a three-dimensional box, simple harmonic oscillator; wave functions of the harmonic oscillator;
    application of Schrodinger equation to the hydrogen atom; separation of variables, significance of
    (), () and R(r) equation, quantum numbers and total energy of an orbital, space wave
    functions and radial distribution curves.
    3. Approximate methods: Perturbation Method, Variation Method and self consistent Field Method;
    Application of approximate methods for calculating energies of helium atom, hydrogen molecule
    ion and hydrogen molecule.

    B: Statistical Thermodynamics
    1. Probability distribution of particles: Probability and thermodynamic probability; probability
    distribution of particles in energy states; most probable distribution; derivation of MaxwellBoltzmann distribution law.
    2. Partition functions: Definition and physical significance of partition function; separation of
    partition functions; translational, rotational, vibrational, electronic, and total partition function;
    relationship between partition functions and thermodynamic functions; molar partition functions;
    application of partition function to monoatomic and diatomic molecules; statistical expression for
    equilibrium constant; equipartition of energy.
    3. Quantum statistics: Maxwell-Boltzmann statistics; Bose-Einstein statistics; Fermi-Dirac statistics;
    electron gas in metals; specific heat of solids; Einstein and Debye theory of specific heat.
    Suggested Readings:
    1. Theoretical Chemistry, S. Glasstones.
    2. Quantum Chemistry, M. R. Awode, S. Chand & Co. Ltd., New Delhi.
    3. Advanced Physical Chemistry, Gurdeep Raj, GOEL Publishing House, Meerul, India.
    4. Advanced Concepts in Physical Chemistry, E. D. Kaufmann.
    5. Introduction to Quantum Mechanics, L. Pauling and E. B. Wilsion.
    6. Quantum Chemistry, Eyring and E. C. Kemble.
    7. Introduction to Statistical Mechanics, G. S. Rushbrook.

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