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Formulas of standard Young tableaux for symmetric spatial wavefunctions of identical electrons

Hu Kun

Published Jan 1, 2000• 0 citations
OpenAlex

Abstract

For n identical particles of electrons,the spatial configurations ( l f +l g - )with the given permutation symmetry are expressed in terms of n λ standard Young tableaux T [λ] i .The spatial wavefunction  1 of the n electron system related T [λ] 1 is Changed to the non perturbation function  1e .From the hypothesis of equal probability for spatial exchange between electrons with the opposite spins,the operator q +e related to T [λ] 1 is determined,the analytic forms of the non perturbation wavefunctions with the given permutation symmetry are derived,and the formulas for the symmetric spatial wavefunctions of identical electrons are obtained in terms of the Standard Young Tableaux.

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Identical Particles and Symmetry

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The Hamiltonian for a system of n particles that are identical, that is, particles that can be substituted for each other with no physical change, must be completely symmetric under any interchange of its arguments. Let Ψ(1, 2, …, n) be any solution of the Schrödinger equation, depending on the coordinates (spatial and spin) of the n identical particles 1 to n, and let P be any permutation of the n numbers 1 to n. Then PΨ(1, 2, …, n) ≡ Ψ(P1, P2, …, Pn) is a function which depends on the coordinates of particle Ψ in the same manner as the original function Ψ depended on the coordinates of particle i. Then using the symmetry of H, we can show that the operator P commutes with the Hamiltonian ( 2-1 ) H ( P Ψ ) = P ( H Ψ ) https://s3-euw1-ap-pe-df-pch-content-public-p.s3.eu-west-1.amazonaws.com/9780429493645/749bab20-4a79-4f5a-8c66-d9e9a36a87b9/content/eq89.tif"/>

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For n identical particles of electrons,the spatial configurations ( l f +l g - )with the given permutation symmetry are expressed in terms of n λ standard Young tableaux T [λ] i .The spatial wavefunction  1 of the n electron system related T [λ] 1 is Changed to the non perturbation function  1e .From the hypothesis of equal probability for spatial exchange between electrons with the opposite spins,the operator q +e related to T [λ] 1 is determined,the analytic forms of the non perturbation wavefunctions with the given permutation symmetry are derived,and the formulas for the symmetric spatial wavefunctions of identical electrons are obtained in terms of the Standard Young Tableaux.
The concepts of the basic symmetric operator and complete symmetric operator of the equivalent-electron regular Young tableau T[λ]ig are presented, and the concepts of the root state and generative state generated by these symmetric operators acting on each Slater function i are also given. Based on the establishment rules of the vertical permutation operator A[λ]ig of the orthogonal normalization Young tableau T[λ]ie, the symmetric operators in A[λ]ie and the equiprobability comparison method for solving T[λ]ie are presented, which can avoid the complicated algebra involving many operators. Finally, a new method for sloving the Young basis of the electron system with a large N is presented.
It is shown that the symmetry under parity of the wavefunctions of two identical particles with an arbitrary spin sss in three spatial dimensions accounts for the appropriate wavefunction exchange statistics under the permutations of particles. The standard properties of the angular momentum in non-relativistic quantum mechanics account for the sign factor (−1)2s(-1)^{2s}(−1)2s that the wavefunctions acquire under the permutation of coordinates of the two particles, without any additional requirements, directly relating spin and the particle exchange statistics in the non-relativistic context.
In this paper we analyze a recently proposed approach for the construction of antisymmetric functions for atomic and molecular systems. It is based on the assumption that the main problems with Hartree-Fock wavefunctions stem from their lack of proper permutation symmetry. This alternative building approach is based on products of a space times a spin function with opposite permutation symmetry. The main argument for devising such factors is that the eigenfunctions of the non-relativistic Hamiltonian are either symmetric or antisymmetric with respect to the transposition of the variables of a pair of electrons. However, since the eigenfunctions of the non-relativistic Hamiltonian are basis for the irreducible representations of the symmetric group they are not necessarily symmetric or antisymmetric, except in the trivial case of two electrons. We carry out a simple and straightforward general analysis of the symmetry of the eigenfunctions of the non-relativistic Hamiltonian and illustrate our conclusions by means of two exactly-solvable models of N=2N=2N=2 and N=3N=3N=3 identical interacting particles.
This work reports on a new and effective method that simplifies the many-electron problem. Instead of a wave function, an operator is used to describe the symmetry of the many-electron system through a transformation. It is proven that the two approaches are physically equivalent, but the operator formalism works much more effectively than the wave function formalism. In the operator formalism, the wave function of an n-electron system can be separated into its spatial and spin parts, and the symmetries of identical particles can be correctly described. For example, it can provide the correct spin and spatial symmetry of many-electron atoms or molecules. For many-electron atoms, one can obtain the simultaneous eigenfunction of L̂2 and Ŝ2. Consequently, the spectroscopic terms of a configuration can be obtained, for example, the hydrogen atom in an energy formula with four quantum numbers (n, l, ml, and ms) for each electron in an atom, including the Hartree–Fock theory. We theoretically analyze and discuss the atomic structure of many-electron atoms using this formula.
The symmetry properties of the N-particle multilevel system are studied. For indistinguishable particles, the total wave function must be either symmetric or antisymmetric in the exchange of any two particles. The internal states of the multilevel system are combined with suitable spatial wave functions to produce a totally symmetric or antisymmetric wave function. The problem of degeneracy and the method of combining a given permutational symmetry of the internal wave function with the same or the conjugate symmetry for the spatial part are described. It is found that Young’s diagram corresponding to the given irreducible representation of the permutation group plays an important role.
The Hamiltonian for a system of n particles that are identical, that is, particles that can be substituted for each other with no physical change, must be completely symmetric under any interchange of its arguments. Let Ψ(1, 2, …, n) be any solution of the Schrödinger equation, depending on the coordinates (spatial and spin) of the n identical particles 1 to n, and let P be any permutation of the n numbers 1 to n. Then PΨ(1, 2, …, n) ≡ Ψ(P1, P2, …, Pn) is a function which depends on the coordinates of particle Ψ in the same manner as the original function Ψ depended on the coordinates of particle i. Then using the symmetry of H, we can show that the operator P commutes with the Hamiltonian ( 2-1 ) H ( P Ψ ) = P ( H Ψ ) https://s3-euw1-ap-pe-df-pch-content-public-p.s3.eu-west-1.amazonaws.com/9780429493645/749bab20-4a79-4f5a-8c66-d9e9a36a87b9/content/eq89.tif"/>