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SpringerBriefs in physics

An Algebraic Approach to the Many-Electron Problem

Jaroslav Zamastil, Tereza Uhlířová

Published Jan 1, 2025• 0 citations
Publisher
DOI
10.1007/978-3-031-87825-1

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A new formulation of the many-electron correlation problem is presented based on the use of parastatistics. It is shown that second-order para-Fermi creation and annihilation operators, which correspond to the creation and annihilation of spin-averaged paraparticles, occur naturally for the spin-independent many-electron problem. Moreover, the spin-independent many-electron Hamiltonian is directly expressible in terms of the parafield operators. The structure of the general para-Fermi algebra is also investigated from the viewpoint of the pseudo-orthogonal group O(2n+1, 1). Finally, an explicit matrix representation for the para-Fermi algebra of order 2, which enables one to handle even particle-number-nonconserving operators, is obtained in a canonical U(n)-adapted basis.
The algebraic structure of the hamiltonian of the many electron system is studied. Based upon the second quantization scheme, a purely algebraic-theoretical method is established in order to determine the total energies of the many electron system, where each energy eigenstate of one electron in the Hartree-Fock field of these electrons is occupied by a given number of electrons. This occupation number is either 0, 1 or 2, because of the value, 1/2, of the electron spin. Only the part of the hamiltonian related to the singly-occupied states are found to be algebraically important, in relation to which the so-called exchange algebra emerges. We state the general principle how to manipulate this algebra, and will work out in some cases of a few numbers of singly occupied states. In the case that the energy eigenstates of the Hartree-Fock field have degeneracies, the theory so far mentioned does not suffice, and more detailed and somewhat complicated study is required.