Hartree-Fock Equations: HeH+ Implementation

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Description

This lecture provides a detailed walkthrough of the implementation of the Hartree-Fock equations for the HeH+ molecule. Starting from the molecular Schrodinger equation, the lecture covers the theory, terms, orbitals construction, contracted Gaussian functions, and the self-consistent field calculation process.

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Computational chemistry: Topics in computational chemistry

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Instructor

sit pariatur

Ontological neighbourhood

Chemistry

Computational chemistry: Topics in computational chemistry

Related lectures (32)

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