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arXiv:0805.4525 · Physical Review E

Perturbation theory without diagrams: The polaron case

R. Rosenfelder

Published Jan 13, 2009• 3 citations
arXivHTMLPDF

Abstract

Higher-order perturbative calculations in quantum (field) theory suffer from the factorial increase of the number of individual diagrams. Here I describe an approach which evaluates the total contribution numerically for finite temperature from the cumulant expansion of the corresponding observable followed by an extrapolation to zero temperature. This method (originally proposed by Bogolyubov and Plechko) is applied to the calculation of higher-order terms for the ground-state energy of the polaron. Using state-of-the-art multidimensional integration routines two new coefficients are obtained corresponding to a four- and five-loop calculation. Several analytical and numerical procedures have been implemented which were crucial for obtaining reliable results.

DOI
10.1103/physreve.79.016705

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Direct evaluation of Feynman's functional integral for the polaron maps it into a standard type of many-body theory. The perturbation expansion is shown to be well controlled and does not require any renormalization. This perturbation expansion has the pleasing feature that $n\mathrm{th}$-order terms in the polaron coupling constant are obtained from $n\mathrm{th}$-order perturbation theory, whereas the traditional perturbation formulation in terms of creation and annihilation operators requires a $2n\mathrm{th}$-order perturbation calculation to generate the same results. In contrast to previous beliefs, the method is shown to enable the calculation of the polaron effective mass and relaxation time directly from the functional-integral expression. The ground-state energy is computed to second order in the polaron coupling constant to illustrate the use of the method and to establish agreement with previous perturbation treatments. In addition, we provide the first perturbation calculation of the polaron effective mass through second order in the coupling constant. Pad\'e approximants are shown to provide a vehicle for analytically extending the perturbation results into the region of intermediate and strong couplings, and the procedure yields reasonable agreement with variational calculations for values of the polaron coupling constant up to about $\ensuremath{\alpha}=10$. In addition, conditions are derived under which the original polaron action, used in the functional integral, reduces to some of the best variational trial actions utilized in the literature.

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arXiv:1912.00474•Dec 1, 2019•2 citations
Higher-order perturbative calculations in quantum (field) theory suffer from the factorial increase of the number of individual diagrams. Here I describe an approach which evaluates the total contribution numerically for finite temperature from the cumulant expansion of the corresponding observable followed by an extrapolation to zero temperature. This method (originally proposed by Bogolyubov and Plechko) is applied to the calculation of higher-order terms for the ground-state energy of the polaron. Using state-of-the-art multidimensional integration routines two new coefficients are obtained corresponding to a four- and five-loop calculation. Several analytical and numerical procedures have been implemented which were crucial for obtaining reliable results.
Direct evaluation of Feynman's functional integral for the polaron maps it into a standard type of many-body theory. The perturbation expansion is shown to be well controlled and does not require any renormalization. This perturbation expansion has the pleasing feature that nthn\mathrm{th}nth-order terms in the polaron coupling constant are obtained from nthn\mathrm{th}nth-order perturbation theory, whereas the traditional perturbation formulation in terms of creation and annihilation operators requires a 2nth2n\mathrm{th}2nth-order perturbation calculation to generate the same results. In contrast to previous beliefs, the method is shown to enable the calculation of the polaron effective mass and relaxation time directly from the functional-integral expression. The ground-state energy is computed to second order in the polaron coupling constant to illustrate the use of the method and to establish agreement with previous perturbation treatments. In addition, we provide the first perturbation calculation of the polaron effective mass through second order in the coupling constant. Pad\'e approximants are shown to provide a vehicle for analytically extending the perturbation results into the region of intermediate and strong couplings, and the procedure yields reasonable agreement with variational calculations for values of the polaron coupling constant up to about $\ensuremath{\alpha}=10$. In addition, conditions are derived under which the original polaron action, used in the functional integral, reduces to some of the best variational trial actions utilized in the literature.
The method of moments is employed to determine the ground state of the phonon-polaron system. The trial function employed in this calculation is a bare-electron wave function. It appears that the method is convergent for this problem. Although the energy is in general a complicated function of the parameter and must be determined numerically, it is possible to formally construct a power series expansion for the energy about the unperturbed energy in powers of the coupling constant. The first term in this series has been determined and agrees with the result of conventional perturbation theory. The second term has not yet been evaluated to all orders but it appears that it will have the opposite sign from the corresponding term in perturbation theory. The second and higher terms in some orders of approximation are singular for small values of the cutoff.
A general method is presented for obtaining an accurate intermediate-coupling theory from weak- and strong-coupling perturbation theory. The method uses two-point Pad\'e approximants to extrapolate (low-order) expansions about the weak- and the strong-coupling limits into the intermediate-coupling regime. The method is used to evaluate the ground-state energy and effective mass of the polaron with gratifying success. In addition, the weak-coupling perturbation theory of the polaron dispersion relation, ground-state energy, and effective mass are extended to fourth, sixth, and fourth order, respectively. A scheme based on two-point Pad\'e approximants is used to obtain an optimal polaron dispersion relation.
We have developed a new equation of motion Green's function theory for the large polaron, that is completely nonperturbative in origin, and therefore gives a unified treatment of the polaron ground state energy for all interaction strengths. The theory also incorporates translational invariance rigorously, a priori. We find the following new results. (a) Previous theories that are valid for all coupling strengths are based on a nonperturbative summation of infinite subsets of entire diagrams (equations of motion), rather than on recoil parts of all diagrams. We can thus recover lowest order results of Feynman for example, via a translationally noninvariant form of the Fock approximation, which resembles that reported in a previous work. (b) The total ground state energy we obtain in the strong coupling limit is E0 = −0.426α2 to lowest order in the coupling constant α, a result substantially below that of previous calculations, E0 = −0.106α2 (using gaussian trial functions in both cases). Our result is also below the lower bound of Lieb and Yamazaki, although we show in a following paper that our result is an upper bound. (c) The origin of the difference of our results compared to that of other strong coupling theories is several fold, and will be presented in detail in subsequent papers. However, the essence of the difference is that the phonons in the field, via their interaction with the electron, assume the role of independent degrees of freedom, in the limit of an infinite number of phonons. We then have a field theoretic problem with an infinite number of degrees of freedom which can exhibit a totally different physical behavior compared to one with a finite number of degrees of freedom. This aspect of the problem has not been given explicit recognition in all other theories, including that of Lieb and Yamazaki.
On the basis of an exact perturbational expression for the interacting one-particle Green function GGG corresponding to bosons / fermions in terms of the bare interaction potential vvv and permanents / determinants of the non-interacting one-particle Green function G0G_0G0​, we deduce four recursive perturbation expansions for the self-energy ΣΣΣ. With WWW denoting the dynamic screened interaction potential, these perturbation expansions are identical to those of ΣΣΣ in terms of (i) self-energy diagrams and (v,G0)(v, G_0)(v,G0​), (ii) GGG-skeleton self-energy diagrams and (v,G)(v, G)(v,G), (iii) WWW-skeleton self-energy diagrams and (W,G0)(W, G_0)(W,G0​), and (iv) GGG- and WWW-skeleton self-energy diagrams and (W,G)(W,G)(W,G). For the calculation of WWW, we rely on a similar exact perturbational expression for the interacting two-particle Green function G2G_2G2​ as for GGG. From this expression, we deduce four recursive perturbation expansions for the polarization function PPP, necessary for the calculation of WWW, that are similar to those for ΣΣΣ specified above. The correlation functions considered in this paper may be corresponding to ground states, and thermal ensemble of states. For thermal ensemble of states, we consider both the imaginary-time formalism of Matsubara, and the real-time formalism of thermo-field dynamics (TFD). The latter is advantageous for the direct calculation of dynamic correlation functions. In an appendix, we apply the formalisms presented in this paper to the Hubbard Hamiltonian for spin-12\tfrac{1}{2}21​ fermions on a lattice in arbitrary ddd spatial dimensions. In two further appendices, we present methods and short programs for determining the νννth-order diagrams corresponding to the perturbation expansions of GGG in terms of (v,G0)(v,G_0)(v,G0​), and ΣΣΣ in terms of (v,G0)(v,G_0)(v,G0​) and (v,G)(v,G)(v,G) on the basis of the cycle decompositions of the elements of the symmetric group S2νS_{2ν}S2ν​.