#### Introductory Quantum chemisrty

Module II: Introductory Quantum Chemistry and the quantum mechanical model of the atom (10 hrs)

Operator algebra – linear and Hermitian operators, Laplacian and Hamiltonian operators,
eigen functions and eigen values of an operator. Non-commuting operators and the
Heisenberg's uncertainty principle.
Postulates of quantum mechanics. Well behaved functions. Time independent Schrödinger
wave equation for conservative systems. Application to particle in a one dimensional box –
normalization of wave function. Particle in a three dimensional box – separation of variables,
degeneracy.
Application of Schrödinger wave equation to hydrogen atom. The wave equation in spherical
polar coordinates. Separation of variables. Wave functions or atomic orbitals, radial and
angular parts of atomic orbitals. Quantum numbers (n, l, m). Radial functions, Radial
distribution functions and their plots, Angular functions and their plots (1s, 2s and2pz only).
The Stern-Gerlach experiment and the concept of electron spin, spin quantum number, spin
orbitals (elementary idea only). Pauli’s exclusion principle.