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International Journal of Quantum Chemistry

Feynman path integral representation for many‐fermion interacting systems

Fernando Calamante, Roberto C. Bochicchio, Horacio Grinberg

Published Mar 5, 1994• 4 citations
Publisher

Abstract

Abstract A many‐fermion interacting system is investigated within the scenario of the Feynman path integral representation of quantum mechanics. Short‐time propagator algorithms and a basis set, closely related to the coherent states, are used to obtain the many‐body analytic propagator. A second‐quantized Hamiltonian involving a restricted set of two‐body interactions and the whole set of Coulomb interactions are separately and shown to lead to an exact and an approximate propagator, respectively. In the latter case, use of a grand canonical ensemble allows the grand partition function and the density operator matrix to be readily obtained. No further approximations are required in the calculation of the trace of the evolution operator involved in the evaluation of statistical expectation values. © 1994 John Wiley & Sons, Inc.

DOI
10.1002/qua.560490604

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Formal functional integrals are commonly used as theoretical tools and as sources of intuition for predicting phase transitions of many-body systems in Condensed Matter Physics. In this thesis, we derive rigorous versions of these functional integrals for two types of quantum many-particle systems. We begin with a brief review of quantum statistical mechanics in Chapter 2 and the formalism of coherent states in Chapter 3, which form the basis for our analysis in Chapters 4 and 5. In Chapter 4, we study a mixed gas of bosons and/or fermions interacting on a finite lattice, with a general Hamiltonian that preserves the total number of particles in each species. We rigorously derive a functional integral representation for the partition function, which employs a large-field cutoff for the boson fields. We then expand the resulting “action” in powers of the fields and find a recursion relation for the coefficients. In the case of a two-body interaction (such as the Coulomb interaction), we also find bounds on the coefficients, which give a domain of analyticity for the action. This domain is large enough for use of the action in the functional integral, provided that the large-field cutoffs are taken to grow not too quickly. In Chapter 5, we study a system of electrons and phonons interacting in a finite lattice, using the Holstein Hamiltonian. Again, we rigorously derive a coherent-state functional integral representation for the partition function of this system and then prove that the “action” in the functional integral is an entire-analytic function of the fields. However, since the Holstein Hamiltonian does not preserve the total number of bosons, the approach from Chapter 4 requires some modification. In particular, we repeatedly use Duhamel expansions in powers of the interaction, rather than sums over particle numbers.
Abstract This chapter presents a short review of path integrals in quantum mechanics. This is followed by a detailed discussion of the evaluation of the semi-classical propagator, involving quadratic expansions of the action and the calculation of determinants. The concept of functionals is introduced for multi-dimensional cases, using a system linearly coupled to many oscillators as an example. The use of path integrals in statistical mechanics is described and quantum corrections to the classical limit are obtained. The connection with Green functions and level density is presented, with an excursion to periodic orbit theory and to the Gutzwiller formula for the oscillating part of the single particle level density. Many-body systems with separable interactions are treated by the Hubbard-Stratonovich transformation. For quantum corrections to the partition function, the static- and perturbed static path approximations are developed. The breakdown for unstable modes is discussed and a possible extension to damped motion is sketched.
The quantizer–dequantizer method is employed. Using the construction of probability distributions describing density operators of a quantum system states, the connection between the Feynman path integral and the time evolution of the density operator (Landau density matrix) as well as the wave function of the stateconsidered. For single–mode systems with continuous variables, a tomographic propagator is introduced in the probability representation of quantum mechanics. An explicit expression for the probability in terms of the Green function of the Schrödinger equation is obtained. Equations for the Green functions defined by arbitrary integrals of motion are derived. Examples of probability distributions describing the evolution of state of a free particle, as well as states of systems with integrals of motion that depend on time (oscillator type) are discussed.