Roothaan equations

E1693180 UNEXPLORED

The Roothaan equations are the matrix form of the Hartree–Fock equations used in quantum chemistry to obtain molecular orbitals and energies via a self-consistent field procedure.

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All labels observed (2)

Label	Occurrences
Hartree–Fock secular equation	1
Roothaan equations canonical	1

Referenced by (2)

Full triples — surface form annotated when it differs from this entity's canonical label.

Fock matrix → relatedTo → Roothaan equations ⓘ

Fock matrix → appearsIn → Hartree–Fock secular equation ⓘ

linked to: Roothaan equations