Lecture

Electronic Structure Methods

In course
DEMO: aliqua dolor consectetur
Pariatur adipisicing laborum pariatur occaecat. Et proident veniam fugiat id pariatur minim incididunt mollit qui labore veniam consectetur. Culpa Lorem aute eiusmod ex incididunt labore sint eu ipsum aliqua labore excepteur.
Login to see this section
Description

This lecture covers the derivation of the Hartree-Fock equations, the meaning of two-electron integrals, and the relationship between dynamical and static correlation in electronic structure calculations. It also discusses the use of continuous basis functions, spin contamination in unrestricted Hartree-Fock, and the coupled cluster method. The instructor explains the steps to obtain the Hartree-Fock energy, the significance of the J and K operators, and the difference between full and complete configuration interaction. Additionally, the lecture delves into the derivation of the coupled cluster equations and the importance of size-consistency and size-extensivity in quantum chemistry models.

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
Instructor
culpa aliqua voluptate mollit
Cupidatat adipisicing aliqua reprehenderit commodo labore reprehenderit ex incididunt eiusmod ullamco anim. Esse excepteur proident elit consectetur excepteur et labore culpa velit sit excepteur duis proident. Fugiat exercitation mollit laboris amet aliquip nulla incididunt nisi excepteur. Non velit duis consequat id eu est dolore ea aliqua nostrud qui.
Login to see this section
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.
Related lectures (34)
Taylor Series: Approximating Functions with Polynomials
Explores approximating functions with polynomials using Taylor series and discusses the convergence of series representations.
Mathematical Displays
Covers the use of mathematical displays and symbols in mathematics.
Geometric Series: Convergence and Limit
Explores the convergence and limit of geometric series, demonstrating mathematical properties and applications.
Trigonometric Functions and Derivatives
Covers trigonometric functions, derivatives, and their applications in solving mathematical problems.
Complex Numbers: Properties and Applications
Explores properties and applications of complex numbers, including De Moivre's theorem and finding complex roots.
Show more