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Physics Letters

Formulation of the quantum mechanical many-body problem in terms of one- and two-particle functions

L. Szasz

Published May 1, 1963• 3 citations
Publisher
DOI
10.1016/0031-9163(63)90593-6

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Formulation of the Quantum-Mechanical Many-Body Problem in Terms of One- and Two-Particle Functions

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A self-consistent procedure is presented for the determination of the properties of a many-fermion system, taking into account all two-particle correlations. We consider a system of $N$ fermions, interacting through two-body forces and write the wave function in the form, $\ensuremath{\Psi}={\ensuremath{\Psi}}_{0}+\ensuremath{\Sigma}{\mathrm{ij}}^{}{f}^{(2)}(\mathrm{ij})$, where ${\ensuremath{\Psi}}_{0}$ is a determinant of one-particle wave functions and ${f}^{(2)}(\mathrm{ij})$ is an antisymmetrized product of ($N\ensuremath{-}2$) one-particle functions and of one two-particle function. By introducing two-particle functions for each electron pair, all two-particle correlations are taken into account. It is shown that for the best one- and two-particle functions a system of coupled integrodifferential equations can be derived. These equations are derived by varying the expectation value of the Hamiltonian with respect to the one- and two-particle functions, taking into account the normalization and orthogonality as subsidiary conditions. After eliminating the Lagrangian multipliers, we have obtained the following result. We obtained $N$ one-particle equations for the $N$ one-particle wave functions and one-particle orbital parameters. These equations are characterized by a potential (and exchange operator) in which, besides the Hartree-Fock type potential terms, there are also the potentials arising from the two-particle functions, where the latter occur in diagonal, as well as in nondiagonal form. For the two-particle functions and the orbital parameters associated with them, we have obtained two-particle equations in which the equation for the function ${\ensuremath{\varphi}}_{\mathrm{ij}}$ contains all one-particle functions and all the other two-particle functions. It is shown that the system of coupled one- and two-particle equations can be solved with a self-consistent procedure. The method can be applied to systems with any number of particles.

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We derive a closed equation of motion for the current density of an inhomogeneous quantum many-body system under the assumption that the time-dependent wave function can be described as a geometric deformation of the ground-state wave function. By describing the many-body system in terms of a single collective field we provide an alternative to traditional approaches, which emphasize one-particle orbitals. We refer to our approach as continuum mechanics for quantum many-body systems. In the linear response regime, the equation of motion for the displacement field becomes a linear fourth-order integrodifferential equation, whose only inputs are the one-particle density matrix and the pair-correlation function of the ground state. The complexity of this equation remains essentially unchanged as the number of particles increases. We show that our equation of motion is a Hermitian eigenvalue problem, which admits a complete set of orthonormal eigenfunctions under a scalar product that involves the ground-state density. Further, we show that the excitation energies derived from this approach satisfy a sum rule which guarantees the exactness of the integrated spectral strength. Our formulation becomes exact for systems consisting of a single particle and for any many-body system in the high-frequency limit. The theory is illustrated by explicit calculations for simple one- and two-particle systems.

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Elementary Aspects of the Quantum-Mechanical Many-Body Problem

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Springer eBooks•Jan 1, 1993•1 citation
A self-consistent procedure is presented for the determination of the properties of a many-fermion system, taking into account all two-particle correlations. We consider a system of NNN fermions, interacting through two-body forces and write the wave function in the form, $\ensuremath{\Psi}={\ensuremath{\Psi}}_{0}+\ensuremath{\Sigma}{\mathrm{ij}}^{}{f}^{(2)}(\mathrm{ij})$, where ${\ensuremath{\Psi}}_{0}$ is a determinant of one-particle wave functions and f(2)(ij){f}^{(2)}(\mathrm{ij})f(2)(ij) is an antisymmetrized product of ($N\ensuremath{-}2$) one-particle functions and of one two-particle function. By introducing two-particle functions for each electron pair, all two-particle correlations are taken into account. It is shown that for the best one- and two-particle functions a system of coupled integrodifferential equations can be derived. These equations are derived by varying the expectation value of the Hamiltonian with respect to the one- and two-particle functions, taking into account the normalization and orthogonality as subsidiary conditions. After eliminating the Lagrangian multipliers, we have obtained the following result. We obtained NNN one-particle equations for the NNN one-particle wave functions and one-particle orbital parameters. These equations are characterized by a potential (and exchange operator) in which, besides the Hartree-Fock type potential terms, there are also the potentials arising from the two-particle functions, where the latter occur in diagonal, as well as in nondiagonal form. For the two-particle functions and the orbital parameters associated with them, we have obtained two-particle equations in which the equation for the function ${\ensuremath{\varphi}}_{\mathrm{ij}}$ contains all one-particle functions and all the other two-particle functions. It is shown that the system of coupled one- and two-particle equations can be solved with a self-consistent procedure. The method can be applied to systems with any number of particles.
The theory of an electron gas at high density is generalized so as to include the exchange scattering of a particle and hole in the singlet as well as in the triplet spin state. This approximation is the maximum possible linearization of a quantum-mechanical many-body problem, and corresponds to the theory of small-amplitude oscillations of a classical many-body system. The linearized Hamiltonian is that of Wentzel's meson pair theory, in which now two kinds of mesons are involved, one with spin zero corresponding to the singlet state of a particle and hole and the other with spin one corresponding to the triplet state. The correlation energy is shown to be the sum of the change in zero-point energies of the two-meson fields with correction only in the second-order term. The theory is then formulated in terms of Green's function, and it is proved explicitly that the linearized theory (or the random-phase approximation with exchange effects taken into account) is equivalent to the "ladder approximation" for the particle-hole scattering. The particle-particle scattering by means of the screened interaction is also discussed. The case of the $\ensuremath{\delta}$-function potential is explicitly solved, and it is shown that the correlation energy becomes complex in the region where the instability of the paramagnetic state occurs.
We derive a closed equation of motion for the current density of an inhomogeneous quantum many-body system under the assumption that the time-dependent wave function can be described as a geometric deformation of the ground-state wave function. By describing the many-body system in terms of a single collective field we provide an alternative to traditional approaches, which emphasize one-particle orbitals. We refer to our approach as continuum mechanics for quantum many-body systems. In the linear response regime, the equation of motion for the displacement field becomes a linear fourth-order integrodifferential equation, whose only inputs are the one-particle density matrix and the pair-correlation function of the ground state. The complexity of this equation remains essentially unchanged as the number of particles increases. We show that our equation of motion is a Hermitian eigenvalue problem, which admits a complete set of orthonormal eigenfunctions under a scalar product that involves the ground-state density. Further, we show that the excitation energies derived from this approach satisfy a sum rule which guarantees the exactness of the integrated spectral strength. Our formulation becomes exact for systems consisting of a single particle and for any many-body system in the high-frequency limit. The theory is illustrated by explicit calculations for simple one- and two-particle systems.