Basis Sets


This session considers the essentials and terminology of the basis sets chosen to construct the wave functions used in molecular modeling calculations. The laboratory investigates constructing a trial wave function.


To view the lecture, please download the Adobe PDF of Basis Sets - Lecture

Lab Exercises

To view the lab, please download the Adobe PDF of:
Basis Sets Lab

Back to Introduction to Computational Chemistry. | Proceed to Choice of Theorectical Method.