Ab initio quantum chemistry methods

Natural sciences
Chemistry
Computational chemistry
Topics in computational che...

About
Privacy
Disclaimer

Graph Chatbot

Related lectures (32)

Page 3 of 4

Quantum Chemistry

Covers Quantum Chemistry topics like SP Hybridization and orbital conservation.

Quantum Chemistry: Perturbation Theory

Covers perturbation theory in quantum chemistry, variational principle, Pauli principle, and separability of operators.

Electronic Structure Methods

Covers basis set errors, Hartree-Fock methods, electron correlation, configuration interaction, and composite approaches in computational chemistry.

Hartree-Fock Method: Basis Sets and Quantum Chemistry

Explores the Hartree-Fock method, basis sets, Slater determinants, and quantum chemistry concepts like spin contamination and Hund's rule.

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.

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

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

Quantum Chemistry

Covers quantum states, shapes, Coulomb integrals, and energy calculations in Chemistry.

Computational Chemistry: Basics and Applications

Series covers diverse computational chemistry approaches and their applications in organic chemistry.

Hartree-Fock Method: Theory and Applications

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

Quantum Chemistry: Fundamentals and Applications

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