Course

CH-353: Introduction to electronic structure methods

Summary

Repetition of the basic concepts of quantum mechanics and main numerical algorithms used for practical implementions. Basic principles of electronic structure methods:Hartree-Fock, many body perturbation theory, configuration interaction, coupled-cluster theory, density functional theory.

Lectures

Instructors

Official source

https://edu.epfl.ch/coursebook/en/introduction-to-electronic-structure-methods-CH-353

Moodle Page

http://go.epfl.ch/CH-353

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Summary

Lectures

Instructors

Official source

https://edu.epfl.ch/coursebook/en/introduction-to-electronic-structure-methods-CH-353

Moodle Page

http://go.epfl.ch/CH-353

About this result

Lectures in this course (49)

Quantum Chemistry Fundamentals

Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.

Quantum Chemical Electronic Structure Methods

Explores quantum chemical electronic structure methods, including basis sets and the Hartree-Fock method.

Computational Quantum Chemistry: Basics and Methods

Covers the basics of computational quantum chemistry, including the Schrödinger equation and quantum chemical methods.

Linux Basics: Command Line and Psi4

Covers Linux basics and Psi4 usage for electronic structure calculations.

Basis Sets: Types and Functional Forms

Explores basis sets in quantum chemistry, covering STOs, GTOs, and contracted Gaussian-Type Orbitals.

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