• Recognize the most significant and elementary solutions of Schrodinger equation in molecular quantum mechanics through a study of time independent perturbation theory, valence bond and molecular orbital theories.
• Apply the concept of linear combination of atomic orbitals to hybridization and directed bonding in polyatomic molecules.
• Solve the real-world problem using advanced numerical programs through Gaussian orbitals.
• Show that molecular symmetry operations form a group and can be characterized by fundamental representations of groups known as irreducible representations
• Apply the great orthogonality theorem to derive simple point groups and illustrate its use in the applications in crystal field theory, pericyclic reactions and molecular spectroscopy.
Learning Outcomes: At the end of the course, the learners should be able to:
• Apply time independent perturbation theory to complex problems of molecular energy levels in the presence of external electric and magnetic fields
• Distinguish different types of hybridization based on geometries of the complex and to calculate for a one-electron and two electron system, all the necessary integrals due to coulombic forces.
• Determine the symmetry operations of any small and medium-sized molecule and apply point group theory to the study of electrical, optical and magnetic properties and selection rules for absorption.
- Teacher: mangal Mangala Sunder K
- Teacher: sanjay Sanjay Kumar