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Journal of Mathematical Physics

Many-Body Point Transforms

Norman M. Witriol

Published Feb 1, 1970• 11 citations
Publisher

Abstract

The method of point transforms is extended to the consideration of the truly many-body terms of many-body systems. The point transformation is taken to be regional (one body isolated, two bodies interacting, three bodies interacting, …, N bodies interacting) and continuous in the 3N-dimensional transformed space. The transformed Hamiltonian and wavefunction of an N-body system can then be easily approximated by one-body, two-body, three-body, …, or N-body additivity. As an example of the use of this method, a set of regional point transforms is developed for the short range, strongly repulsive, or hard-core many-body problem. Applying these transforms to the many-body Hamiltonian, we obtain a set of equivalent Hermitian Hamiltonians which are Fourier analyzable and amenable to ordinary perturbation and variational techniques. Assuming two-body additivity, this set is shown to be the set of pairwise point transformations developed by Eger and Gross.

DOI
10.1063/1.1665182

Related papers

Many-Body Point Transforms. II. An Exact Noncluster Approach to the Hard-Core Many-Body Problem

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The method of many-body point transforms previously developed by the author is modified to eliminate the interacting particle cluster formalism. The cutoff terms in the transformation, and thus in the Hamiltonian, are therefore removed. For the hard-core many-body problem, as in the previous work, a Hamiltonian is obtained which is Fourier analyzable, Hermitian and amenable to ordinary perturbation and variational techniques while still being equivalent to the original Hamiltonian. No approximations are made. It is demonstrated that the use of the standard zeroth-order approximation of the ground state Bose system, i.e., a constant, for the transformed wavefunction gives a negative expectation value of the energy for the hard core system. This discrepancy arises from the extended range of the new potential generated by the transformation, which necessitates explicit consideration of boundary conditions not satisfied by the above wavefunction.

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Point Transforms and the Hard-Core Fermi System

Norman M. Witriol

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Point Transformations and the Hard-Sphere Bose Gas

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The method of correlated basis functions provides a means of systematically exploiting our intuitive understanding of real physical systems. Here we seek especially to develop a formalism for describing systems of strongly interacting fermions, for example, nuclei and liquid ${\mathrm{He}}^{3}$, using a complete set of correlated functions ${\ensuremath{\Psi}}_{\mathrm{m}}=\frac{F{\ensuremath{\Phi}}_{\mathrm{m}}}{{({\ensuremath{\Phi}}_{\mathrm{m}}, {F}^{2}{\ensuremath{\Phi}}_{\mathrm{m}})}^{\frac{1}{2}}}$. $F$ is taken as a product of two-body factors, $\ensuremath{\Pi}{i<j}^{}[f({r}_{\mathrm{ij}})]$, the $f({r}_{\mathrm{ij}})$ embodying at least the correlations arising from strong short-range repulsions; and ${{\ensuremath{\Phi}}_{\mathrm{m}}}$, a set of independent-particle-model functions which might serve as a basis in the absence of highly singular interactions. The matrix elements ${\mathfrak{H}}_{\mathrm{mn}}$, ${\mathfrak{N}}_{\mathrm{mn}}$ of the Hamiltonian and identity operators with respect to the correlated basis ${{\ensuremath{\Psi}}_{\mathrm{m}}}$ are evaluated by generalization of cluster-expansion techniques developed originally for the calculation of the partition function of a classical imperfect gas and adapted to the quantum-mechanical many-body problem by Iwamoto and Yamada. Contributions to our expansions for the ${\mathfrak{H}}_{\mathrm{mn}}$ are classified according to order of magnitude in the quantity $\ensuremath{\rho}\ensuremath{\omega}$, where $\ensuremath{\omega}=\ensuremath{\int}({f}^{2}(r)\ensuremath{-}1)d\mathrm{r}$ is a "correlation parameter" and $\ensuremath{\rho}$ the average particle density. To the extent that $|\ensuremath{\rho}\ensuremath{\omega}|$ is small, it provides a true expansion parameter. A detailed technical discussion of the cluster expansions is given, with special emphasis on their symmetry properties upon truncation. Although the many-body problem is soluble by simultaneous diagonalization of the matrices (${\mathfrak{H}}_{\mathrm{mn}}$) and (${\mathfrak{N}}_{\mathrm{mn}}$), it is preferable first to transform to an orthonormal basis of "unperturbed" correlated functions ${{\ensuremath{\Theta}}_{\mathrm{m}}}$ with respect to which the Hamiltonian and identity operators have the matrix representations (${H}_{\mathrm{mn}}$) and $({N}_{\mathrm{mn}})=({\ensuremath{\delta}}_{\mathrm{mn}})$, and then to attempt the separate diagonalization of (${H}_{\mathrm{mn}}$). In general, such a transformation is expedited by the L\"owdin procedure carried out to the desired order in $\ensuremath{\rho}\ensuremath{\omega}$. However, a Schmidt orthogonalization scheme might prove more advantageous in specific cases. Field-theoretic techniques (of both perturbative and nonperturbative nature) may be brought to bear in the diagonalization of (${H}_{\mathrm{mn}}$). The inverse of the unitary transformation which takes the basis ${{\ensuremath{\Phi}}_{\mathrm{m}}}$ into the basis ${{\ensuremath{\Theta}}_{\mathrm{m}}}$, applied to the given singular Hamiltonian, leads---for any $F$ in the class considered---to a non-singular "effective Hamiltonian." Following this formal cue, we set out to construct explicitly a second-quantized effective Hamiltonian which generates the same matrix elements, to prescribed order in $\ensuremath{\rho}\ensuremath{\omega}$, when operating between independent-particle kets of the model occupation-number representation, as does the given Hamiltonian in the configuration-space representation, between the corresponding correlated functions of the L\"owdin basis. The quasiparticles described by this effective Hamiltonian interact via well-behaved two-body, three-body, \ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}, $Q$-body, \ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{} potentials, in contrast to the highly singular two-body interactions of the real particles. For small $|\ensuremath{\rho}\ensuremath{\omega}|$, the effective two-body forces predominate. An avenue to deeper understanding of the applicability of the nuclear-shell model and the dressed-quasiparticle theory of liquid ${\mathrm{He}}^{3}$ has been opened. This article treats only the formalism for a uniform extended medium. Numerical calculations, as well as the extension of the method to finite systems, will follow.

Physical Review•Jan 21, 1966•160 citations

Many-body systems

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Cambridge University Press eBooks•May 13, 1993•2 citations

Approach to the Nuclear Many-Body Problem by Variationally Determined Transformation. II

A. Mann, I. Unna, R. Gross

We present a generalization of the Hartree-Fock (HF) method incorporating two-body correlations. The correlations are introduced by means of a unitary operator ${e}^{\mathrm{iF}}$, where $F$ is a Hermitian one- and two-body operator to be determined by the variational principle. Assuming that the matrix elements of $F$ are small so that powers of $F$ higher than the second may be neglected, a set of linear equations determining $F$ is obtained. The relation between our method and methods used to treat singular interactions is discussed. The method is applied to two recently suggested models and is compared with the HF method, second-order perturbation theory, and with the random-phase approximation. It is found that our method yields very good results within the range of validity of our approximations, which seems to call forth applications to more realistic problems. Possible applications to the study of collective phenomena in nuclei are indicated.

Physical Review C•Aug 1, 1972•2 citations
The method of point transforms is extended to the consideration of the truly many-body terms of many-body systems. The point transformation is taken to be regional (one body isolated, two bodies interacting, three bodies interacting, …, N bodies interacting) and continuous in the 3N-dimensional transformed space. The transformed Hamiltonian and wavefunction of an N-body system can then be easily approximated by one-body, two-body, three-body, …, or N-body additivity. As an example of the use of this method, a set of regional point transforms is developed for the short range, strongly repulsive, or hard-core many-body problem. Applying these transforms to the many-body Hamiltonian, we obtain a set of equivalent Hermitian Hamiltonians which are Fourier analyzable and amenable to ordinary perturbation and variational techniques. Assuming two-body additivity, this set is shown to be the set of pairwise point transformations developed by Eger and Gross.
The method of many-body point transforms previously developed by the author is modified to eliminate the interacting particle cluster formalism. The cutoff terms in the transformation, and thus in the Hamiltonian, are therefore removed. For the hard-core many-body problem, as in the previous work, a Hamiltonian is obtained which is Fourier analyzable, Hermitian and amenable to ordinary perturbation and variational techniques while still being equivalent to the original Hamiltonian. No approximations are made. It is demonstrated that the use of the standard zeroth-order approximation of the ground state Bose system, i.e., a constant, for the transformed wavefunction gives a negative expectation value of the energy for the hard core system. This discrepancy arises from the extended range of the new potential generated by the transformation, which necessitates explicit consideration of boundary conditions not satisfied by the above wavefunction.
The method of point transformations is used to provide a Hamiltonian for strongly interacting particles that is equivalent to the usual Hamiltonian. The new Hamiltonian is Hermitian, Fourier analyzable, velocity dependent, and free of the difficulties of pseudopotentials. The present work is restricted to the case that two-body encounters are dominant. The theory is expressed in the quantized wave formalism so that number-violating approximations can be applied. The well known results for the spectrum and ground-state energy of the dilute hard-sphere gas are then derived as an elementary application.
The method of correlated basis functions provides a means of systematically exploiting our intuitive understanding of real physical systems. Here we seek especially to develop a formalism for describing systems of strongly interacting fermions, for example, nuclei and liquid He3{\mathrm{He}}^{3}He3, using a complete set of correlated functions ${\ensuremath{\Psi}}_{\mathrm{m}}=\frac{F{\ensuremath{\Phi}}_{\mathrm{m}}}{{({\ensuremath{\Phi}}_{\mathrm{m}}, {F}^{2}{\ensuremath{\Phi}}_{\mathrm{m}})}^{\frac{1}{2}}}$. FFF is taken as a product of two-body factors, $\ensuremath{\Pi}{i<j}^{}[f({r}_{\mathrm{ij}})]$, the f(rij)f({r}_{\mathrm{ij}})f(rij​) embodying at least the correlations arising from strong short-range repulsions; and ${{\ensuremath{\Phi}}_{\mathrm{m}}}$, a set of independent-particle-model functions which might serve as a basis in the absence of highly singular interactions. The matrix elements Hmn{\mathfrak{H}}_{\mathrm{mn}}Hmn​, Nmn{\mathfrak{N}}_{\mathrm{mn}}Nmn​ of the Hamiltonian and identity operators with respect to the correlated basis ${{\ensuremath{\Psi}}_{\mathrm{m}}}$ are evaluated by generalization of cluster-expansion techniques developed originally for the calculation of the partition function of a classical imperfect gas and adapted to the quantum-mechanical many-body problem by Iwamoto and Yamada. Contributions to our expansions for the Hmn{\mathfrak{H}}_{\mathrm{mn}}Hmn​ are classified according to order of magnitude in the quantity $\ensuremath{\rho}\ensuremath{\omega}$, where $\ensuremath{\omega}=\ensuremath{\int}({f}^{2}(r)\ensuremath{-}1)d\mathrm{r}$ is a "correlation parameter" and $\ensuremath{\rho}$ the average particle density. To the extent that $|\ensuremath{\rho}\ensuremath{\omega}|$ is small, it provides a true expansion parameter. A detailed technical discussion of the cluster expansions is given, with special emphasis on their symmetry properties upon truncation. Although the many-body problem is soluble by simultaneous diagonalization of the matrices (Hmn{\mathfrak{H}}_{\mathrm{mn}}Hmn​) and (Nmn{\mathfrak{N}}_{\mathrm{mn}}Nmn​), it is preferable first to transform to an orthonormal basis of "unperturbed" correlated functions ${{\ensuremath{\Theta}}_{\mathrm{m}}}$ with respect to which the Hamiltonian and identity operators have the matrix representations (Hmn{H}_{\mathrm{mn}}Hmn​) and $({N}_{\mathrm{mn}})=({\ensuremath{\delta}}_{\mathrm{mn}})$, and then to attempt the separate diagonalization of (Hmn{H}_{\mathrm{mn}}Hmn​). In general, such a transformation is expedited by the L\"owdin procedure carried out to the desired order in $\ensuremath{\rho}\ensuremath{\omega}$. However, a Schmidt orthogonalization scheme might prove more advantageous in specific cases. Field-theoretic techniques (of both perturbative and nonperturbative nature) may be brought to bear in the diagonalization of (Hmn{H}_{\mathrm{mn}}Hmn​). The inverse of the unitary transformation which takes the basis ${{\ensuremath{\Phi}}_{\mathrm{m}}}$ into the basis ${{\ensuremath{\Theta}}_{\mathrm{m}}}$, applied to the given singular Hamiltonian, leads---for any FFF in the class considered---to a non-singular "effective Hamiltonian." Following this formal cue, we set out to construct explicitly a second-quantized effective Hamiltonian which generates the same matrix elements, to prescribed order in $\ensuremath{\rho}\ensuremath{\omega}$, when operating between independent-particle kets of the model occupation-number representation, as does the given Hamiltonian in the configuration-space representation, between the corresponding correlated functions of the L\"owdin basis. The quasiparticles described by this effective Hamiltonian interact via well-behaved two-body, three-body, \ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}, QQQ-body, \ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{} potentials, in contrast to the highly singular two-body interactions of the real particles. For small $|\ensuremath{\rho}\ensuremath{\omega}|$, the effective two-body forces predominate. An avenue to deeper understanding of the applicability of the nuclear-shell model and the dressed-quasiparticle theory of liquid He3{\mathrm{He}}^{3}He3 has been opened. This article treats only the formalism for a uniform extended medium. Numerical calculations, as well as the extension of the method to finite systems, will follow.
General properties of many-body systems Definition of individual system So far we have studied the properties of single-body systems in prescribed external potentials. An individual physical system comprises a wave and a particle, both evolving in three-dimensional Euclidean space. Of course, isolating a system and representing the influence of other matter by an ‘external potential’ is an approximation to the real state of affairs in that we neglect the source of the potential. As a fundamental theory of matter quantum mechanics should apply to a closed many-body system (and ultimately to the universe as a whole) and reduce to a theory of systems of a few degrees of freedom as a special case under conditions where it is legitimate to neglect the ‘rest of the universe’. The extension of the quantum theory of motion to many-body systems is straightforward, although it displays some striking features not evident in the one-body case. To begin with, we define an individual n-body system as comprising: ( a ) A wavefunction ψ = ψ( x 1 , …, x n , t ) defined in a 3 n -dimensional configuration space in which x l , …, x n provide a set of rectangular Cartesian coordinates. ( b ) A set of n point particles pursuing trajectories x i ( t ) i = 1, …, n , in three-dimensional Euclidean space. A single configuration space trajectory is equivalent to n particle trajectories in Euclidean space. When we speak of a ‘many-body system’ we mean then a single wavefunction together with a set of particles.
We present a generalization of the Hartree-Fock (HF) method incorporating two-body correlations. The correlations are introduced by means of a unitary operator eiF{e}^{\mathrm{iF}}eiF, where FFF is a Hermitian one- and two-body operator to be determined by the variational principle. Assuming that the matrix elements of FFF are small so that powers of FFF higher than the second may be neglected, a set of linear equations determining FFF is obtained. The relation between our method and methods used to treat singular interactions is discussed. The method is applied to two recently suggested models and is compared with the HF method, second-order perturbation theory, and with the random-phase approximation. It is found that our method yields very good results within the range of validity of our approximations, which seems to call forth applications to more realistic problems. Possible applications to the study of collective phenomena in nuclei are indicated.