Hartree–Fock method

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Related lectures (11)

Quantum Chemistry Fundamentals

Covers the basics of quantum chemistry and the Hartree-Fock method.

Hartree-Fock Equations: HeH+ Implementation

Covers the implementation of Hartree-Fock equations for HeH+ molecule, including theory, terms, orbitals, and self-consistent field calculation.

Understanding Electron Density

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

Plotting HF orbitals

Explains how to visualize molecular orbitals and the difference between spin-restricted and unrestricted calculations.

Electronic Structure: Hamiltonian and Orbitals

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

Atomic Structure: Real Atom

Explores the real atom, electron distribution rules, molecular and band structure computation methods, and the Born-Oppenheimer approximation.

Chemical Bonding in Solids

Explores chemical bonding in solids, band structure, and surface scattering techniques for lattice parameter measurements and crystal orientation analysis.

Configuration Interaction II: Slater-Condon Rules

Covers the Slater-Condon rules for configuration interaction and determinants.

Hydrogen Molecule: Electronic Structure

Delves into the electronic structure of the hydrogen molecule, including wavefunctions, bonding, energy levels, and molecular orbitals.

Hartree-Fock: Approximation & Wavefunction

Explains the Hartree-Fock approximation method and the process of minimizing the energy expression to find the wavefunction.

DFT: Thomas-Fermi model

Explores the Thomas-Fermi model in Density Functional Theory, discussing electron-electron interaction approximation and challenges in expressing kinetic energy.

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