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Simple derivation of conditions for instability in the Hartree–Fock and projected Hartree–Fock schemes

✍ Scribed by Per–olov Löwdin; Jean–Louis Calais; Jacques M. Calazans

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
626 KB
Volume
20
Category
Article
ISSN
0020-7608

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✦ Synopsis

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.

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