Enforcing the Pauli principle in many-body systems of fermions to ensure an antisymmetric wave function is typically a numerically expensive task. Numerical methods, such as coupled-cluster, correlated basis function, Monte Carlo, and traditional configuration interaction, scale with powers of $N$ that make the determination of the energy spectrum of these systems a challenge. In a recent paper, we successfully obtained energies for large systems of fermions in the unitary regime in which we applied the Pauli principle ``on paper'' without obtaining an explicit wave function. This approach, an extension of the symmetry invariant perturbation method to fermions, applies the Pauli principle by imposing restrictions on the quantum numbers used to obtain the energy. As a followup to this study, we perform an explicit test of the validity of this application of the Pauli principle by comparing our energy results against the energies corresponding to explicitly antisymmetrized wave functions for an exactly solvable system of harmonically confined, harmonically interacting fermions. Our results show that our simple method of applying the Pauli principle selects from a spectrum of possible many-body energies only those energies that correspond to explicitly antisymmetrized wave functions. Our results were tested for values of $N$ through $\ensuremath{\approx}10 000$ and for weak and strong interactions both repulsive and attractive.Enforcing the Pauli principle in many-body systems of fermions to ensure an antisymmetric wave function is typically a numerically expensive task. Numerical methods, such as coupled-cluster, correlated basis function, Monte Carlo, and traditional configuration interaction, scale with powers of $N$ that make the determination of the energy spectrum of these systems a challenge. In a recent paper, we successfully obtained energies for large systems of fermions in the unitary regime in which we applied the Pauli principle ``on paper'' without obtaining an explicit wave function. This approach, an extension of the symmetry invariant perturbation method to fermions, applies the Pauli principle by imposing restrictions on the quantum numbers used to obtain the energy. As a followup to this study, we perform an explicit test of the validity of this application of the Pauli principle by comparing our energy results against the energies corresponding to explicitly antisymmetrized wave functions for an exactly solvable system of harmonically confined, harmonically interacting fermions. Our results show that our simple method of applying the Pauli principle selects from a spectrum of possible many-body energies only those energies that correspond to explicitly antisymmetrized wave functions. Our results were tested for values of $N$ through $\ensuremath{\approx}10 000$ and for weak and strong interactions both repulsive and attractive.

Physical Review AFeb 12, 20168 citations

Variational Principle for Schrödinger–Pauli Theory

Michele Cini

UNITEXT for physicsJan 1, 20180 citations

Improved Quantum Theory of Many-Electron Systems. I. Construction of Eigenfunctions of S^2 Which Satisfy Pauli's Principle

William A. Goddard

A general method of obtaining many-electron wave functions which are eigenfunctions of ${\stackrel{^}{S}}^{2}$ and which also satisfy Pauli's principle is developed. This method is based on the properties of the irreducible units of the group algebra of the symmetric group. Using this method, expansions of the exact wave function are found which will in succeeding articles form the basis of a powerful method of obtaining accurate and quite useful many-electron wave functions for atoms, molecules, and solids.A general method of obtaining many-electron wave functions which are eigenfunctions of ${\stackrel{^}{S}}^{2}$ and which also satisfy Pauli's principle is developed. This method is based on the properties of the irreducible units of the group algebra of the symmetric group. Using this method, expansions of the exact wave function are found which will in succeeding articles form the basis of a powerful method of obtaining accurate and quite useful many-electron wave functions for atoms, molecules, and solids.

Physical ReviewMay 5, 1967239 citations

Classical aspects of the Pauli-Schrödinger equation

K. Dechoum, H. M. França, Coraci Pereira Malta

Physics Letters ANov 1, 199819 citations

Classical model of bosons and fermions

G. Kaniadakis, P. Quarati

In a previous work [Phys. Rev. E 48, 4263 (1993)] we have derived a nonlinear one-dimensional kinetic equation for the distribution function of particles obeying an exclusion principle. In the present work, on the same grounds, we extend this kinetics to D-dimensional continuous or discrete space, in order to study the distribution function of particles obeying a generalized exclusion-inclusion Pauli principle (EIP). This exclusion or inclusion principle is introduced into the classical transition rates by means of an inhibition or an enhancement factor, which contains a parameter \ensuremath{\kappa}, whose values range between -1 and +1 and can balance the effect of the full or partial validity of EIP. After deriving the kinetic equation we obtain a general expression of the stationary distribution function, depending on the value we give to the parameter \ensuremath{\kappa}. When we limit ourselves to Brownian particles, we derive exactly for \ensuremath{\kappa}=-1 the Fermi-Dirac (FD) distribution, for \ensuremath{\kappa}=0 the Maxwell-Boltzmann distribution, and for \ensuremath{\kappa}=1 the Bose-Einstein (BE) distribution. When \ensuremath{\kappa} assumes an intermediate value, except zero, between the extreme values -1 and +1, we obtain statistical distributions different from the FD and BE ones. We attribute to the parameter \ensuremath{\kappa} the meaning of the degree of indistinguishability of identical particles, the degree of antisymmetrization, or the symmetrization of the wave function of the particle system.In a previous work [Phys. Rev. E 48, 4263 (1993)] we have derived a nonlinear one-dimensional kinetic equation for the distribution function of particles obeying an exclusion principle. In the present work, on the same grounds, we extend this kinetics to D-dimensional continuous or discrete space, in order to study the distribution function of particles obeying a generalized exclusion-inclusion Pauli principle (EIP). This exclusion or inclusion principle is introduced into the classical transition rates by means of an inhibition or an enhancement factor, which contains a parameter \ensuremath{\kappa}, whose values range between -1 and +1 and can balance the effect of the full or partial validity of EIP. After deriving the kinetic equation we obtain a general expression of the stationary distribution function, depending on the value we give to the parameter \ensuremath{\kappa}. When we limit ourselves to Brownian particles, we derive exactly for \ensuremath{\kappa}=-1 the Fermi-Dirac (FD) distribution, for \ensuremath{\kappa}=0 the Maxwell-Boltzmann distribution, and for \ensuremath{\kappa}=1 the Bose-Einstein (BE) distribution. When \ensuremath{\kappa} assumes an intermediate value, except zero, between the extreme values -1 and +1, we obtain statistical distributions different from the FD and BE ones. We attribute to the parameter \ensuremath{\kappa} the meaning of the degree of indistinguishability of identical particles, the degree of antisymmetrization, or the symmetrization of the wave function of the particle system.

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topicsJun 1, 199490 citations

N

that make the determination of the energy spectrum of these systems a challenge. In a recent paper, we successfully obtained energies for large systems of fermions in the unitary regime in which we applied the Pauli principle ``on paper'' without obtaining an explicit wave function. This approach, an extension of the symmetry invariant perturbation method to fermions, applies the Pauli principle by imposing restrictions on the quantum numbers used to obtain the energy. As a followup to this study, we perform an explicit test of the validity of this application of the Pauli principle by comparing our energy results against the energies corresponding to explicitly antisymmetrized wave functions for an exactly solvable system of harmonically confined, harmonically interacting fermions. Our results show that our simple method of applying the Pauli principle selects from a spectrum of possible many-body energies only those energies that correspond to explicitly antisymmetrized wave functions. Our results were tested for values of

N

through $\ensuremath{\approx}10 000$ and for weak and strong interactions both repulsive and attractive.