Multi-configurational self-consistent field

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Hartree-Fock Methods: Types and Performance

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

Post-HF Methods: MPn and CI

Explores Post-HF methods like MPn and CI to include electron correlation effects neglected by HF.

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.

Configuration Interaction: Excited State Configurations

Explores Configuration Interaction, Slater determinants, and matrix diagonalization in solving the many-electron Schrodinger equation.

Hartree-Fock Equations: HeH+ Implementation

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

Basis set superposition error

Explores Basis Set Superposition Error in quantum chemistry calculations and the Counter-Poise correction to estimate it.

Hartree-Fock Equations for N Fermions

Discusses the minimization of the Hartree-Fock functional for N fermions and the variational principle in quantum physics.

Electronic Structure: Hamiltonian and Orbitals

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

Variational Principle in Quantum Mechanics

Delves into the variational principle in quantum mechanics and the application of deep neural networks for complex system solutions.

Coupled Cluster Theory: Size Consistency

Explores the Coupled Cluster theory, discussing Size Extensivity, Size Consistency, and post-Hartree-Fock methods.