Physical Chemistry I (ΧΜ420)

The aim of the course is the development of the following competences: Ability to solve the Schrödinger equation to obtain wave functions. Ability to apply operators to the wavefunction to obtain information about a particle's physical properties such as position, momentum and energy. Ability to determine the electronic structure of an atom according to the modern quantum theory and to relate it to its properties and interactions with light. Ability to interpret atomic spectra. Ability to interpret rotational and vibrational spectra of simple molecules and obtain information related to their physical properties.

Objectives

After completing this course a student should be able to: 1. Understand the fundamental concepts of quantum mechanics, such as the Schrödinger equation, wave function and its physical interpretation, quantization, and expectation values. 2. Understand the quantum mechanical description of a particle’s translational, rotational and vibrational motions and discuss the corresponding wavefunctions and energy levels. 3. Grasp the concepts of spin and angular momentum and their quantization, and explain the Zeeman affect and spin-orbit coupling. 4. Understand how quantum mechanics can be used to describe the electronic structure of hydrogenic atoms and many-electron atoms. 5. Demonstrate knowledge of basic concepts of the molecular orbital approximation, and the methods that can be used to describe the structures of diatomic and polyatomic molecules. 6.Understand the origin of atomic and molecular spectra and discuss the selection rules governing such spectra.

Prerequisites

There are no prerequisite courses. The students are expected to master the basic mathematical skills that will be required throughout the course (use of complex numbers and functions, simple differential equations, integrals, and basic linear algebra).

Syllabus

Introduction to the Quantum Theory. Classical mechanics. The dynamics of microscopic systems. Quantum mechanical principles. Techniques and Applications. Translational motion. Vibrational motion. Rotational motion. Atomic Structure and Atomic Spectra. The structure and spectra of hydrogenic atoms. The structures of many-electron atoms. The spectra of complex atoms. Term symbols and selection rules. The effects of magnetic fields. Molecular Structure and Molecular Spectra. Molecular orbital theory. The hydrogen molecule-ion. The structures of diatomic molecules. The structures of polyatomic molecules. Rotational spectra of diatomic and polyatomic molecules. Vibrational spectra of diatomic molecules. Introduction to electronic transitions and electronic spectra.