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A GENERALIZED PERTURBATION THEORY FOR QUANTUM MECHANICAL MANY-BODY PROBLEMS

Hans Primas

Published Jan 1, 1961• 4 citations
OpenAlex

Abstract

>A generalized ford of a perturbation theory for a (nonrelativistic) quantum mechanical many-body Hamiltonian is given that can be useful for problems of quantum chemistry and other problems with a mcderate number of particles. A modification of Watson's t-operator allows a perturbational development of a many body problem in terms of simpler subproblems. Some examples of such cluster approximations are given. The whole theory is formulated in terms of state vectors and there are no assumptions about the degeneracy of the Hamiltonian. The given approximations to the level shift transformation are both unitary and Lie functions in every order of the development. Every step of the calcalation can be done in the domain of a Lie algebra and it is recomdended that full advantage be taken of this fact in practical calculations. The use of the diagram technique is avoided and there are no explicit partial summations of the perturbation series, but similar results are gained by the systematic use of the unitary conditions, of the Lie character, and of a modified t-operator. (auth)

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It is proposed to formulate any quantum mechanical perturbation theory in operator form and to take advantage of the fact that such a theory can be completely formulated in the domain of a Lie algebra. The concept of a T- operator is generalized and used to compose a solution of a complicated quantum mechanical problem from subproblems connected therein. (R.E.U.)

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Many-Body Perturbation Theory

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The usual perturbation treatment of the many-body problem is modified by eliminating the two-body interaction and introducing in its place a $t$ matrix. The Watson, Brueckner, and Bethe (W.B.B.) treatment of the many-body problem is shown to be a special case of the modified perturbation treatment. The modified perturbation treatment involves no assumption except that of supposing the convergence of the perturbation expansion. Thus to each order in the expansion the results must be meaningful and no unphysical "unlinked cluster" terms can appear. Within the framework of the modified perturbation treatment it is easy to interpret the concepts of the Pauli principle for intermediate states and the self-consistent choice of the comparison potential which play such an important role in the W.B.B. treatment. This work is similar to that of J. Goldstone in that we relate the W.B.B. treatment to a perturbation treatment of the many-body problem. We differ from Goldstone in that we use the usual time-independent perturbation theory instead of the time-dependent one. The time-independent approach permits a direct comparison with the W.B.B. treatment and facilitates discussion of the Pauli principle for intermediate states and of the self-consistent potential.

Physical Review•Jul 1, 1957•28 citations

ON PERTURBATION THEORY FOR LARGE QUANTUM SYSTEMS

Yu.L. Mentkovskii

A new form of the Van Hove--Hugenholtz perturbation theory expansion is proposed. The series obtained differ from the more familiar ones by the simplicity of the energy-denominators, a fact which may be useful, for example, in calculating the excited states. The deduction of the indicated expansions is quite simple. (auth)

Zhur. Eksptl'. i Teoret. Fiz.•Aug 1, 1960•0 citations

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

Norman M. Witriol

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.

Journal of Mathematical Physics•Dec 1, 1971•3 citations

Renormalization and Statistical Mechanics in Many-Particle Systems. I. Hamiltonian Perturbation Method

Duane C. Wallace

A general system composed of many weakly interacting bosons and/or fermions is considered. The object is to develop a procedure for renormalizing the single-particle creation operators, so as to remove the interactions to successively higher orders of perturbation. The basic idea is that creation operators ${{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$ must satisfy the Hamiltonian commutator equations $[\mathcal{H},{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}]={\ensuremath{\omega}}_{i}{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$, where $\mathcal{H}$ is the Hamiltonian and ${\ensuremath{\omega}}_{i}$ are the particle energies. For the many-weakly-interacting-particle system, the zeroth-order boson and fermion creation operators satisfy these equations to zeroth order. It is shown that if the creation operators are renormalized so as to satisfy the Hamiltonian commutator equations to order $m$, and also to satisfy the appropriate boson commutators and fermion anticommutators to order $m$, then the problem is solved to order $m$. In particular, the vectors formed by operating on the ground state with the renormalized creation operators, according to the usual boson and fermion occupation-number representation, are eigenvectors of $\mathcal{H}$ and are orthonormal, all to order $m$. A procedure is otained for finding the ($m+1$)-order contributions to the particle creation energies, in terms of the $m$-order operators. Explicit first-order calculations of these general results are provided for a system of bosons and a system of fermions, and these first-order results are shown to include similar results of Rayleigh-Schr\"odinger perturbation theory, the random-phase approximation, and the method of thermodynamic Green's functions. The problem of anharmonic lattice dynamics is studied in detail, and a method of undetermined coefficients is used to renormalize the phonon creation operators to first order. The phonon energies are calculated to second order, and this calculation shows that the interactions between renormalized phonons cannot be removed in second order. Statistical averages of the phonon energies give the energy shifts and lifetimes which have been calculated previously by various propagator techniques. In addition, the renormalized energies are used to calculate the temperature-dependent part of the Helmholtz free energy correct to second order. As a final example, electron-phonon interactions in a normal metal are studied. The electron and phonon creation operators are renormalized to first order, the particle energies are calculated to second order, and statistical averages of the particle energies recover the usual thermodynamic Green's-function results for energy shifts and lifetimes. These examples show the simplicity by which the renormalization procedure obtains a great amount of detailed information about the single-particle nature of a many-particle system.

Physical Review•Dec 2, 1966•31 citations
A generalized ford of a perturbation theory for a (nonrelativistic) quantum mechanical many-body Hamiltonian is given that can be useful for problems of quantum chemistry and other problems with a mcderate number of particles. A modification of Watson's t-operator allows a perturbational development of a many body problem in terms of simpler subproblems. Some examples of such cluster approximations are given. The whole theory is formulated in terms of state vectors and there are no assumptions about the degeneracy of the Hamiltonian. The given approximations to the level shift transformation are both unitary and Lie functions in every order of the development. Every step of the calcalation can be done in the domain of a Lie algebra and it is recomdended that full advantage be taken of this fact in practical calculations. The use of the diagram technique is avoided and there are no explicit partial summations of the perturbation series, but similar results are gained by the systematic use of the unitary conditions, of the Lie character, and of a modified t-operator. (auth)
The usual perturbation treatment of the many-body problem is modified by eliminating the two-body interaction and introducing in its place a ttt matrix. The Watson, Brueckner, and Bethe (W.B.B.) treatment of the many-body problem is shown to be a special case of the modified perturbation treatment. The modified perturbation treatment involves no assumption except that of supposing the convergence of the perturbation expansion. Thus to each order in the expansion the results must be meaningful and no unphysical "unlinked cluster" terms can appear. Within the framework of the modified perturbation treatment it is easy to interpret the concepts of the Pauli principle for intermediate states and the self-consistent choice of the comparison potential which play such an important role in the W.B.B. treatment. This work is similar to that of J. Goldstone in that we relate the W.B.B. treatment to a perturbation treatment of the many-body problem. We differ from Goldstone in that we use the usual time-independent perturbation theory instead of the time-dependent one. The time-independent approach permits a direct comparison with the W.B.B. treatment and facilitates discussion of the Pauli principle for intermediate states and of the self-consistent potential.
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.
A general system composed of many weakly interacting bosons and/or fermions is considered. The object is to develop a procedure for renormalizing the single-particle creation operators, so as to remove the interactions to successively higher orders of perturbation. The basic idea is that creation operators ${{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$ must satisfy the Hamiltonian commutator equations $[\mathcal{H},{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}]={\ensuremath{\omega}}_{i}{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$, where H\mathcal{H}H is the Hamiltonian and ${\ensuremath{\omega}}_{i}$ are the particle energies. For the many-weakly-interacting-particle system, the zeroth-order boson and fermion creation operators satisfy these equations to zeroth order. It is shown that if the creation operators are renormalized so as to satisfy the Hamiltonian commutator equations to order mmm, and also to satisfy the appropriate boson commutators and fermion anticommutators to order mmm, then the problem is solved to order mmm. In particular, the vectors formed by operating on the ground state with the renormalized creation operators, according to the usual boson and fermion occupation-number representation, are eigenvectors of H\mathcal{H}H and are orthonormal, all to order mmm. A procedure is otained for finding the (m+1m+1m+1)-order contributions to the particle creation energies, in terms of the mmm-order operators. Explicit first-order calculations of these general results are provided for a system of bosons and a system of fermions, and these first-order results are shown to include similar results of Rayleigh-Schr\"odinger perturbation theory, the random-phase approximation, and the method of thermodynamic Green's functions. The problem of anharmonic lattice dynamics is studied in detail, and a method of undetermined coefficients is used to renormalize the phonon creation operators to first order. The phonon energies are calculated to second order, and this calculation shows that the interactions between renormalized phonons cannot be removed in second order. Statistical averages of the phonon energies give the energy shifts and lifetimes which have been calculated previously by various propagator techniques. In addition, the renormalized energies are used to calculate the temperature-dependent part of the Helmholtz free energy correct to second order. As a final example, electron-phonon interactions in a normal metal are studied. The electron and phonon creation operators are renormalized to first order, the particle energies are calculated to second order, and statistical averages of the particle energies recover the usual thermodynamic Green's-function results for energy shifts and lifetimes. These examples show the simplicity by which the renormalization procedure obtains a great amount of detailed information about the single-particle nature of a many-particle system.