Lecture

Basis set superposition error

Description

This lecture covers the Basis Set Superposition Error (BSSE) in quantum chemistry, explaining how it affects the calculation of binding energies and how the Counter-Poise correction can be used to estimate it. The lecture also discusses the impact of incomplete basis sets on weak interactions, emphasizing the importance of using appropriate basis sets for accurate calculations. Practical examples and guidelines for choosing basis sets are provided, highlighting the significance of investigating basis set effects in quantum chemical calculations. The lecture concludes with a quiz on the Hartree-Fock Approximation, addressing the approximation of the many-electron wavefunction as a single Slater determinant and its implications.

This video is available exclusively on Mediaspace for a restricted audience. Please log in to MediaSpace to access it if you have the necessary permissions.

Watch on Mediaspace
About this result
This page is automatically generated and may contain information that is not correct, complete, up-to-date, or relevant to your search query. The same applies to every other page on this website. Please make sure to verify the information with EPFL's official sources.

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.