Spin density matrices of the system, containing arbitrary even number N of indistinguishable fermions with spin S = 1/2, described by antisymmetric wave function, have been calculated. The indistinguishability and the Pauli principles are proved to determine uniquely spin states, spin correlations and entanglement of fermion spin states. Increase of the particle number in the multifermion system reduces the spin correlation in any pair of fermions. The fully entangled system of N electrons are shown to be composed by pairs with nonentangled spin states that is the incoherent superposition of the singlet and triplet states.
Spin density matrices of the system, containing arbitrary even number N of indistinguishable fermions with spin S = 1/2, described by antisymmetric wave function, have been calculated. The indistinguishability and the Pauli principles are proved to determine uniquely spin states, spin correlations and entanglement of fermion spin states. Increase of the particle number in the multifermion system reduces the spin correlation in any pair of fermions. The fully entangled system of N electrons are shown to be composed by pairs with nonentangled spin states that is the incoherent superposition of the singlet and triplet states.
Spin density matrices of the system, containing arbitrary even number N of indistinguishable fermions with spin S = 1/2, described by antisymmetric wave function, have been calculated. The indistinguishability and the Pauli principles are proved to determine uniquely spin states, spin correlations and entanglement of fermion spin states. Increase of the particle number in the multifermion system reduces the spin correlation in any pair of fermions. The fully entangled system of N electrons are shown to be composed by pairs with nonentangled spin states that is the incoherent superposition of the singlet and triplet states. Any large system of N fermions, such as electrons with spin S = 1/2, the spin state of any particle are shown to be entangled with the other part of the system containing N-1 particle. However, the spin state of this electron is not entangled with any other particle, and spin state of any electron pair is not entangled. These properties of spin states manifest in the Einstein-Podolsky-Rosen as confirmation or violation of the Bell inequalities indicating the presence of non-local quantum spin correlations.
This chapter discusses the properties of systems of identical particles. It presents the wave functions of a system composed of N identical and independent particles. From the properties of the wave functions, the chapter shows that identical particles can be characterized by symmetric as well as antisymmetric wave functions. As a result, it distinguishes two kinds of particles: bosons and fermions. Fermions have half integer spin, whereas bosons have integer spin. Since an arbitrary number of bosons can occupy the same state, atoms with integer spin can abruptly condensate into a single ground state when the temperature of the atoms goes below a certain critical value. In atoms, a limited number of electrons can occupy the same energy level. The Pauli principle prevents the energy states being occupied by an arbitrary number of electrons. Thus, the Pauli principle prevents all atoms having the same size and the same energy.
In order to calculate the average value of a physical quantity containing also many-particle interactions in a system of N antisymmetric particles, a set of generalized density matrices are defined. In order to permit the investigation of the same physical situation in two complementary spaces, the Hermitean density matrix of order k has two sets of indices of each k variables, and it is further antisymmetric in each set of these indices.Every normalizable antisymmetric wave function may be expanded in a series of determinants of order N over all ordered configurations formed from a basic complete set of one-particle functions ${\ensuremath{\psi}}_{k}$, which gives a representation of the wave function and its density matrices also in the discrete k-space. The coefficients in an expansion of an eigenfunction to a particular operator may be determined by the variation principle, leading to the ordinary secular equation of the method of configurational interaction. It is shown that the first-order density matrix may be brought to diagonal form, which defines the "natural spin-orbitals" associated with the system. The situation is then partly characterized by the corresponding occupation numbers, which are shown to lie between 0 and 1 and to assume the value 1, only if the corresponding spin-orbital occurs in all configurations necessary for describing the situation. If the system has exactly N spin-orbitals which are fully occupied, the total wave function may be reduced to a single Slater determinant. However, due to the mutual interaction between the particles, this limiting case is never physically realized, but the introduction of natural spin-orbitals leads then instead to a configurational expansion of most rapid convergence.In case the basic set is of finite order M, the best choice of this set is determined by a form of extended Hartree-Fock equations. It is shown that, in this case, the natural spin-orbitals approximately fulfill some equations previously proposed by Slater.
In this work we present a pedagogically motivated analysis of spin-correlation calculations in a quantum system composed of two spin-1/2 particles. Rather than aiming at new physical results, our purpose is to clarify and bring attention to different strategies for evaluating expectation values of the form ⟨ψ∣Su^(1)Sv^(2)∣ψ⟩, which play an important role in discussions of entanglement and Bell-type correlations. We compare three complementary approaches. The first follows a direct algebraic evaluation in the product basis, closely related to standard textbook methods. The second uses a matrix representation of bipartite states, in which the tensor-product structure is expressed in terms of 2×2 complex matrices. This representation keeps the calculation close to the familiar Pauli-matrix algebra and makes the independent action of operators on each subsystem more transparent. The third explores a symmetry-based argument, highlighting both its usefulness and its limitations when applied beyond the singlet state. We show explicitly that the singlet state is rotationally invariant, which explains why the symmetry argument successfully reproduces its correlation function, while a naive extension fails for triplet states. The discussion illustrates how entanglement, tensor-product structure, and rotational symmetry interplay in spin correlations.
A method for the calculation of translationally invariant wave functions for systems of identical fermions with arbitrary potential of pair interaction is developed.It is based on the well-known result that the essential dynamic part of Hamiltonian for the system of identical particles is the reduced Hamiltonian operator describing a relative movement of two particles inside the system.The eigenfunctions of this operator take into account all correlations caused by interaction.These eigenfunctions are basic elements for building the components (i.e., the functions with a lower degree of antisymmetry) used to construct the total antisymmetric wave function of the system.The main problem of this approach appears to be the antisymmetrization of the components.The developed universal algorithm for antisymmetrization gives a possibility to carry out this operation in a simple way and to keep numerical approximations under control.
Abstract The spin-independent properties of an electronic system are completely determined by spinless density functions, P1(1; 1') and P 2( 1,2; 1',2 '), derived from the 1-and 2-electron density matrices, p1(1; 1') and p2(1,2 ; 1',2'). These functions, and their physical inter-pretation, have been dealt with in part I: the present paper contains the generalizations necessary when the Hamiltonian contains spin terms (as in discussions of electron and nuclear spin resonance). The density matrices, and more generally the transition density matrices p1(kλ|1; 1') and p2(kλ|l,2; 1',2') associated with states and Φkand Φλ are resolved into spinless components associated with different spin situations: p1 has four such components (one giving the density of a-spin electrons, a second the density of β-spin electrons, and two with less direct physical significance), while p2 has sixteen components. It is shown that all components, for states k=(S, M),λ= (S',M') of given S, S', are determined by three 2-electron functions.For k=λ these reduce to p2, the spinless pair function, from which the electron density p1 may be derived by integration; Q2a ‘conditional' spin density, from which the (1-electron) spin density Q1 may be derived (as in the case of p1 and P2); Q c. a., a ‘coupling anisotropy function', which describes the anisotropy of spin-spin coupling associated with quantization of the spin z-component. It is also useful to introduce (though it is not an independent function). Qc, a ‘coupling density function', which measures the coupling between the spins of two electrons at different points in space. All spin-dependent effects, including the usual spin-spin and spin-orbit couplings and also (indirect) nuclear and electron-nuclear spin-spin couplings, may be related to the many- electron wave function through the above density functions. All the densities have a physical interpretation, independent of the precise nature of the wave functions (which may, for example, be the exact eigenfunctions of a spinless Hamiltonian or merely approximations of orbital form). The derivation of the density functions from approximate wave functions is considered in some detail. For functions describing weakly coupled electron groups (e. g. inner-shell and valence electrons) the densities may be expressed in terms of those of the separate groups. This reduction may be followed by an orbital description of each group; and subsequently, by a linear-combination-of-atomic-orbitals (l. c. a. o.) approximation. In the simpler approximations, all the coupling effects discussed are determined by electron and spin ‘populations'. Preliminary calculations suggest that such approximations may in many cases be adequate.