A Pauli-exclusion-principle-satisfying approximation for the n-Fermion problem

A K Mishra, G. Rajasekaran

Carlos L. Benavides-Riveros

Postulated by Wolfgang Pauli in 1925 to explain the electronic structure of atoms and molecules, the exclusion principle establishes an upper bound of 1 for the fermionic natural occupation numbers (ni ≤ 1), thereby allowing no more than one electron in each quantum state. This is nothing more than a necessary and sufficient condition for a 1-body reduced density matrix to be the contraction of an N-body density matrix, provided that the sum of such occupations equals the number of particles. The pure N-representability problem asks whether given natural occupation numbers can arise from an antisymmetric pure N-particle state. Recent progress on such a problem establishes a systematic approach to a set of stronger constraints on the natural occupation numbers, not implied by the exclusion principle. In fact, for a pure quantum system the natural occupations satisfy a set of linear inequalities, known as generalized Pauli constraints, of the form with . This generalization of the Pauli exclusion principle has been widely used in many-body physics to study the influence of the fermionic exchange symmetry, beyond the original Pauli principle. In this chapter we review recent applications of the generalized Pauli exclusion principle and discuss some of the open problems.

A K Mishra, G. Rajasekaran

Cord Friebe

Both bosons and fermions satisfy a strong version of Leibniz’s Principle of the Identity of Indiscernibles (PII), and so are ontologically on a par with respect to the PII. This holds for non-entangled, non-product states and for physically entangled states—as it has been established in previous work. In this paper, the Leibniz strategy is completed by including the (bosonic) symmetric product states. A new understanding of Pauli’s Exclusion Principle is provided, which distinguishes bosons from fermions in a peculiar ontological way. Finally, the program as a whole is defended against substantial objections.

Raphael David Levine

Fermions need to satisfy the Pauli exclusion principle: no two can be in the same state. This restriction is most compactly expressed in a second quantization formalism by the requirement that the creation and annihilation operators of the electrons satisfy anticommutation relations. The usual classical limit of quantum mechanics corresponds to creation and annihilation operators that satisfy commutation relations, as for a harmonic oscillator. We discuss a simple classical limit for Fermions. This limit is shown to correspond to an anharmonic oscillator, with just one bound excited state. The vibrational quantum number of this anharmonic oscillator, which is therefore limited to the range 0 to 1, is the classical analog of the quantum mechanical occupancy. This interpretation is also true for Bosons, except that they correspond to a harmonic oscillator so that the occupancy is from 0 up. The formalism is intended to be useful for simulating the behavior of highly correlated Fermionic systems, so the extension to many electron states is also discussed.

R. -P. Hirsekorn