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University Program Information

Program Overview

The university offers a program in Quantum Chemistry, denoted as CH 560.

Syllabus

The syllabus for CH 560 includes:

• Matrix formulation of quantum mechanics: transformation, representations, projection operators, equations of motion
• Operator formalism: Virial theorem, normal operators, Dirac's method of solution of harmonic oscillator problem
• Angular momentum: ladder operator technique, solutions, differential equation methods, spin, addition of angular momenta
• Explicit derivation of Hartree and Hartree-Fock equations, Roothaan equations, basis sets - STO and GTO, calculation of integrals, semiempirical methods
• Configuration interaction
• Tunnel effect: square barrier, WKB approximation, electron and proton transfer
• Many-body treatments: correlation energy, N-dependence, diagrammatic representations and linked cluster theorem

Text References

The following texts are referenced for the program:

1. I. R. Levine, Quantum Chemistry, Prentice Hall India (Ltd.), 1995
2. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, McGraw-Hill, 1989
3. J. Goodisman, Contemporary Quantum Chemistry, Plenum, 1977
4. F. L. Pilar, Elementary Quantum Chemistry, McGraw-Hill, 1968
5. S. N. Datta, Lectures on Chemical Bonding and Quantum Chemistry, Prism Books, 1998