Hartree-Fock Method: Basis Sets and Quantum Chemistry

About
Privacy
Disclaimer

Graph Chatbot

Related lectures (32)

Page 2 of 4

Explores the solution of the Schrödinger equation for many-electron systems using basis sets and the concept of basis functions.

Hartree-Fock Method: Basis Set Superposition Error and CP Correction

Explores the Hartree-Fock method, emphasizing basis set errors and CP correction.

Quantum Chemistry: Eigenfunctions and Hermitian Operators

Discusses eigenfunctions of Hermitian operators in quantum chemistry and the quantization of energy levels.

Electronic Structure: Hamiltonian and Orbitals

Covers the electronic structure in quantum physics, focusing on the Hamiltonian operator and the concept of orbitals.

Hartree-Fock Methods: Types and Performance

Explores different types of HF methods, their performance, electron correlation, and post-HF methods.

Quantum Chemistry: Molecular Orbital Theory

Covers the fundamentals of quantum chemistry, focusing on molecular orbital theory and conservation of orbital equivalence.

Hartree-Fock Method: Theory and Applications

Explores the Hartree-Fock method in quantum chemistry, emphasizing the variational principle and self-consistent solutions.

Electronic Structure Methods

Covers the derivation of Hartree-Fock equations, two-electron integrals, dynamical and static correlation, continuous basis functions, spin contamination, and the coupled cluster method.

Quantum Chemistry: Fundamentals and Applications

Covers the fundamentals of quantum chemistry, including Coulomb and exchange integrals, atomic and molecular orbitals.

Understanding Electron Density

Explores electron density in chemistry, from atomic models to machine learning applications and implications for molecular properties and drug design.