Theory of Intermolecular Forces

Theory of Intermolecular Forces, PHY-316.7/ CHM-temp2.7

2025 syllabus:

1. Molecules in Electric Field: Potential energy surface, multipole moments, Legendre polynomials,
   polarizability, hyperpolarizability, symmetry properties of moments, multipole expansion in Cartesian
   and spherical tensor form. Distributed multipole expansion.

2. Symmetry-adapted perturbation theory (SAPT): Origin of induction and dispersion interactions. Various
   formalisms of SAPT

3. Short-range and many-body effects: Charge penetration, exchange interaction, hydrogen bond,
   halogen bond, Non-additivity of induction energy, intermolecular forces in a medium

4. Lattice energy: van der Waals forces, dipole-dipole interaction, quadrupole energy, Stability aspects of
   an organic crystal, model calculations for benzene, naphthalene, and anthracene crystals, lattice
   dynamics, crystal dynamics using atom-atom potentials, reorientation within the lattice. Crystal
   structure prediction problem.

References: 

1. Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials, I. G.
   Kaplan, Wiley
2. The Theory of Intermolecular Forces, A. J. Stone, Oxford University Press
3. Classical Electromagnetic Radiation, Mark A. Heald, Jerry B. Marion, Dover
4. Molecular Interactions, Edited by Steve Scheiner, Wiley
5. Molecular Crystals and Molecules, Kitaigorodsky, Academic Press