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Simple derivation of conditions for instability in the Hartree–Fock and projected Hartree–Fock schemes
Authors:Per&#x;olov Lwdin  Jean&#x;Louis Calais  Jacques M Calazans
Institution:Per–olov Löwdin,Jean–Louis Calais,Jacques M. Calazans
Abstract:The conditions for instability of solutions of Hartree–Fock and projected Hartree–Fock equations are derived in a form involving finite real symmetric matrices. These conditions are also expressed in terms of the Fock–Dirac density matrix, both at the spin–orbital and at the orbital level. The particular variations which give rise to the so-called singlet and triplet instabilities are described.
Keywords:
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