Lecture

Hartree-Fock Equations: Derivation and Solutions

In course

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Description

This lecture covers the derivation of the Hartree-Fock equations, focusing on the self-interaction-free Hartree-Fock method, the Fock equation, and the Roothaan equations. It explains the iterative process to find the Hartree-Fock wavefunction and the matrix form of the Roothaan equations.

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Instructor

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Official source

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Ontological neighbourhood

Mathematics

Algebra: Linear algebra

Chemistry

Computational chemistry: Topics in computational chemistry

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