Quantum Chemistry

Undergraduate

An introduction to the quantum mechanics of molecular systems. Approximate methods for calculating the electronic structure of molecules are discussed. Particular emphasis is placed on molecular orbital methods at various ab-initio levels. Methods which include the effects of electron correlation will also be presented. Evaluation of such methods for studies of molecular geometry, conformational problems, thermochemical data, and spectroscopic parameters is presented. Other topics considered may include the electronic structure of hydrogen bonded systems and of excited states.