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Algebraic Generalization

Tarō Kashiwa, Yoshio Ohnuki, Masuo Suzuki

Published Jul 3, 1997• 0 citations
Publisher

Abstract

Abstract The path integral method discussed up to the preceding section is based on Trotter’s formula (1.10) and its accuracy is of the order of Δt for the time slice Δt. This is sufficient for discussing quantum systems qualitatively. Higher accuracy of the Quantum Monte method is required for studying quantum systems numerically. In the present chapter, we explain the algebraic generalization of the path integral method. By applying the integral representations given in chapters 1−4 to such generalized product formulae, some new kinds of path integral of higher accuracy can be obtained. This is crucial when the essence of a phenomenon can be found only by increasing the accuracy of calculations. It should be emphasized that such higher order decomposition formulae to be explained in the present chapter can also be applied not only to the path integral method but to many other problems such as non-linear dynamics in Hamiltonian systems.

DOI
10.1093/oso/9780198517719.003.0006

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Abstract The path integral method discussed up to the preceding section is based on Trotter’s formula (1.10) and its accuracy is of the order of Δt for the time slice Δt. This is sufficient for discussing quantum systems qualitatively. Higher accuracy of the Quantum Monte method is required for studying quantum systems numerically. In the present chapter, we explain the algebraic generalization of the path integral method. By applying the integral representations given in chapters 1−4 to such generalized product formulae, some new kinds of path integral of higher accuracy can be obtained. This is crucial when the essence of a phenomenon can be found only by increasing the accuracy of calculations. It should be emphasized that such higher order decomposition formulae to be explained in the present chapter can also be applied not only to the path integral method but to many other problems such as non-linear dynamics in Hamiltonian systems.
Abstract The path integral discussed in the preceding chapters can be exactly calculated only in a few restricted systems such as harmonic oscillators. The WKB method and perturbational expansions based on the above path integral method are in fact applicable to systems close to classical ones and weakly interacting systems, respectively. However, in order to study interesting phenomena such as high Tc superconductivity, we have to treat strongly correlated systems in which the quantum effect plays an important role. It is effective in these systems to extract some physically crucial contributions numerically. This will be possible if we use the quantum Monte Carlo method. Although there are many different types of quantum Monte Carlo methods, we explain here mainly the quantum statistical Monte Carlo method based on a Trotter-like formula and on the important sampling method applied to transformed classical systems.
(Suzuki-)Trotter decompositions, splitting methods, (Lie) product formulae... The most common numerical methods for the time evolution of quantum systems come with many names. And they are used practically everywhere with applications ranging from the solution of classical equations of motion and various Monte Carlo simulations to the real and imaginary time evolution on classical as well as quantum computers. Here we review the state of the art of said methods, focussing especially on the progress made over the last few years. We highlight recently discovered efficient time evolution algorithms and explain how best to use them in practice. A central part of this work is the estimation of error bounds that has improved greatly within the past decade. The relevance of time evolution methods for quantum computing is discussed with a focus on noisy hardware. Finally, a comprehensive overview of generalisations, related methods and alternatives to Trotterization is provided. This includes time-dependent Hamiltonian dynamics, processed methods, multi-product formulae, symplectic integrators, TDVP for tensor networks, quantum signal processing, Crouch-Grossman methods and more. The overall perspective in this work is that of a theoretical physicist. All mathematical proofs as well as some technical details are omitted for easier readability. Instead, this review serves as a hands-on guide and, of course, as a starting point for references that provide further details.
This chapter introduced the concept of the wavenumber operator rather than employing the standard notion of the momentum operator. The introduction and usage of the wavenumber operator were hailed as a significant achievement. Indeed the introduction of the wavenumber operator significantly simplifies the discussion. The Feynman path integral was derived using the Trotter product formula. The chapter presented schemes for the symmetrization and then the generalization of the standard Trotter product rule, which is the quintessential tool in establishing the Feynman path integral. The proposed symmetrization improves the convergence rate of the calculations by one order. The standard Trotter product rule merely involves two operators. The proposed generalization admits the involvement of any finite number of operators. The introduction of the wavenumber operator and the symmetrization and generalization of the Trotter product formula have been presented in this chapter for the first time. The reader may consult the references [1-16] further below to deepen their understanding and hopefully appreciate the simplifications and generalizations achieved in this chapter.
Abstract The focus of Chapter 12 is the Feynman path integral formulations of quantum mechanics and quantum statistical mechanics. The connection between real-time quantum propagator and the density matrix is established via the Wick rotation, and a Trotter expansion is used to derive discrete path integral expressions for both. The continuous limit of the discrete path integral is derived to yield the functional integral formulation of the path integral. The construction of estimators and their averages for computing quantum observables is discussed. Next, the path integral is extended to incorporate Boltzmann, Fermi-Dirac, and Bose-Einstein statistics, and a useful recursive formula for the partition function is derived that accelerates convergence by building up N-body partition functions from those of smaller systems. Quantum free energies are discussed, and algorithms for the evaluation of path integrals using molecular dynamics or Monte Carlo are presented. The chapter concludes with a discussion of higher-order factorizations and ring-polymer contraction methods to reduce the computational overhead of path-integral calculations
Abstract This chapter discusses some applications of path integrals. First, it illustrates how their qualitative use can yield insights. As an example, it applies it to the so-called Bohm–Aharonov effect. Then, it discusses the generalization of the path-integral formalism for the so-called many-body problem. It only treats distinguishable particles (what we call Boltzmannons) in this chapter. The book will discuss indistinguishable particles in a future chapter. This chapter will also discuss the formulation of quantum statistical mechanics of Boltzmannons.
Abstract In this chapter path integral formulae in various representations will be derived by starting from the Schrodinger equation. In order to obtain a c-number expression for the time evolution operator given in terms of the momentum and the coordinate, first we need to deal with the issue of operator ordering. Then a discussion on the Euclidean technique, with which path integration can prove its real worth, that is where path integration can be regarded as a powerful tool for acquiring quantum information, will be presented. Further, alternative path integral expressions other than those obtained by using the eigen states of the momentum and the coordinate will be presented by utilizing the coherent states. Path integral formulae for the Fermi system will be finally presented, together with guidance on Grass man numbers, the indispensable rudiments for doing this.