The description of many-particle quantum mechanics given till now does not give us much insight into how one may go about computing the Green function of quantum systems with infinitely many coupled degrees of freedom. Apart from the free particle case and perhaps the harmonic oscillator, there are precious few exact computations of Green functions of many-particle systems. Even the approximate methods are found wanting since we have already alluded to the ‘uncontrolled’ nature of most of the approximations that have been proposed to date. There is one method that offers some hope in this regard. This method is (wrongly) called ‘bosonization’. This method will be the main focus of much of this and the next chapter. The main mathematical tool used is the introduction of operators that are ‘non-local’ in a sense to be made precise later, which enables the exact computation of the asymptotic properties of the Green function (G(x− x′, t− t ′) in the regime |x− x′| → ∞ and/or |t − t ′| → ∞) under some further restrictive assumptions. We wish to ease into this subject through the study of quantum vortices in charged bosons where the notion of nonlocality makes its presence felt in a relatively more familiar setting.
The description of many-particle quantum mechanics given till now does not give us much insight into how one may go about computing the Green function of quantum systems with infinitely many coupled degrees of freedom. Apart from the free particle case and perhaps the harmonic oscillator, there are precious few exact computations of Green functions of many-particle systems. Even the approximate methods are found wanting since we have already alluded to the ‘uncontrolled’ nature of most of the approximations that have been proposed to date. There is one method that offers some hope in this regard. This method is (wrongly) called ‘bosonization’. This method will be the main focus of much of this and the next chapter. The main mathematical tool used is the introduction of operators that are ‘non-local’ in a sense to be made precise later, which enables the exact computation of the asymptotic properties of the Green function (G(x− x′, t− t ′) in the regime |x− x′| → ∞ and/or |t − t ′| → ∞) under some further restrictive assumptions. We wish to ease into this subject through the study of quantum vortices in charged bosons where the notion of nonlocality makes its presence felt in a relatively more familiar setting.
In Chapter 9 we applied the second quantization to the Hartree–Fock method. In this chapter we provide the basic aspects of the thermal Green function method, which is convenient for systematic perturbative expansion beyond the mean-field approximation. Several problems in quantum statistical mechanics can be elegantly and compactly described in terms of the so-called Matsubara Green functions (Matsubara (1955); Abrikosov et al. (1963)). Hence, if on one hand, the density matrix description, often used in the previous chapters, has a more direct physical interpretation, on the other hand the Green function method is far more powerful and takes advantage of a handy diagrammatic perturbation expansion. In the following chapters, we rely on the Green function for a more complete treatment of some many-body problems. To be self contained we introduce here this technical chapter with a short presentation of the by now standard Green function method. For a comprehensive treatment we refer the reader to the many books available and in particular to Abrikosov et al. (1963). The Matsubara Green function The main aim of quantum statistical mechanics is the evaluation of the partition function (see Eqs. (6.31) and (6.32)), e.g. in the grand canonical ensemble In the case of quantum gases one can evaluate Ƶ exactly as we did in Chapter 7. In general, the evaluation of the partition function is a difficult task and it is useful to use perturbation theory to obtain approximate solutions. To set up a perturbation theory, one begins by splitting the Hamiltonian as H = H 0 + H i, where H 0 represents the “easy” part, which can be solved exactly. In the second step, one could naturally think of expanding the exponential of the interacting part H i in order to write the partition function as a perturbative series. However, such a procedure requires extreme care due to the non-commutative nature of operators in quantum mechanics. The way of solving this problem is via the “ time ” ordering of operators in each term of the perturbative expansion. It can be shown, as we shall see in the present chapter, that the quantum statistical average of any time-ordered sequence of operators with respect to the unperturbed Hamiltonian H 0 can be expressed in terms of elementary quantum statistical averages of two field operators. Such elementary averages are called Green functions and in this section we introduce the basic definitions concerning them.
Introduction Mathematically, given a linear differential operator L x , one encounters the solution to the inhomogeneous differential equation Here ρ ( x ) is a given source function. For a given boundary condition, we assume a solution to exist. The solution can be reduced to a simpler problem. Let G ( x, y ) is the Green's function. This is a function of x with y a parameter. Take G ( x, y ) to satisfy the same boundary conditions as φ ( x ). Then since An example of L x is, of course, the Schrödinger operator We take ρ ( x ) = V ( x ) ψ ( x , t ), ψ ( x , t ) being the wave function and V ( x ) the potential operator. We are interested in Green's functions taken over from the techniques of quantum field theory (Schweber, 1961; Lifshitz and Petaevskii, 1981). We will concern ourselves particularly with one- and two-time Green's functions, since our principal interest is to show a connection to the calculations of linear response theory (Chapter 15) as well as to quantum kinetic equations. Then we wish to compare the methods with those described in Chapter 4. In this we will follow the work of L. P. Kadanoff and G. Baym (1962) and of L. V. Keldysh (1965) and also Zubarev (1974). We will not discuss equilibrium statistical mechanics utilizing Green's function techniques for many-body problems. The literature is exhaustive (see Abrikosov et al. , 1963; Fetter and Walecka, 1971). A good general introduction is the book by G. D. Mahan (2000). One- and two-time quantum Green's functions and their properties Let us introduce the creation operator ψ † ( r, t ) and annihilation operator ψ ( r, t ) of the second quantization formalism (see Schweber, 1961). They have the equal time commutation rules for Bose and Fermi particles: The Hamiltonian operator for the particles is and the number density of particles at r t is the operator Note that r = ( r 1 … r N ) for (1, 2, 3, …, N ) and V (| r − r ′|) is the pair potential depending, as in Chapter 4, on the scalar distance between the particles.
Within the Landauer approach to conduction discussed in the previous chapter, electron interactions have been included only at the mean-field level. This is quite a strong approximation, especially in nanojunctions, where large current densities are common. I therefore want to go beyond this level of description. I can follow two different routes. (1) I can develop a functional theory of quantum correlations via time-dependent effective single-particle equations, as I will do in Chapter 7 where I will use dynamical density-functional theories within the micro-canonical approach to conduction. (2) I can try to solve the time-dependent Schrödinger equation 1.16 – or its mixed-state version, the Liouville-von Neumann equation 1.60 – directly. Written this way, this last proposition seems hopeless. In reality, we can employ a many-body technique, known as the non-equilibrium Green's function formalism (NEGF), also referred to as the Keldysh formalism (Keldysh, 1964; Kadanoff and Baym, 1962), which allows us, at least in principle, to do just that: solve the time-dependent Schrödinger equation for an interacting many-body system exactly, from which one can, in principle, calculate the time-dependent current. This is done by solving equations of motion for specific time-dependent single-particle Green's functions, from which the physical properties of interest, such as the charge and current densities, can be obtained. I have stressed the term “time-dependent” several times, because, as I will show in a moment, the NEGF is “exact” only when one solves the time-dependent Schrödinger equation for a closed quantum system, subject to deterministic perturbations: the system is closed but not necessarily isolated. These perturbations may drive the system far away from its initial state of thermodynamic equilibrium (Keldysh, 1964).
Quantum field theories are quantum mechanical systems with an infinite number of degrees of freedom. We start this book with a review of quantum mechanics in a form that is particularly suited for the field theory generalization. This form utilizes the Heisenberg picture and the functional integral representation of probability amplitudes — the transformation functions of Dirac. Some time will be spent developing and discussing the functional or path integral representation of quantum mechanics since this will enable us to learn a new formalism in a simple and familiar physical context — we won't have to learn too many new things all at once. The functional formulation will be illustrated by applying it at some length to the harmonic oscillator which is not only the simplest (and exactly soluble) non-trivial quantum system but which is also the dynamics of a single mode of a free field theory. The purpose of this review of quantum mechanics is to introduce in the simplest form much of the notation and methods used later in the book. Throughout this chapter we will explicitly work only with systems that have a single degree of freedom (one coordinate variable). The extension to systems with several degrees of freedom is straightforward.
To avoid confusion, it is necessary to be quite explicit about what is assumed and what is to be proved. A. Klein, Phys. Rev. 121, 950 (1961) Summary The topic of this chapter is functionals that provide a concise formulation for thermodynamic quantities and Green's function methods in interacting many-body systems. Building upon the instructive examples of density functional theory and the Hartree– Fock approximation, functionals of the Green's function are developed to provide a framework for practical methods used extensively in many-body perturbation theory (Chs. 9–15), dynamical mean-field theory (Chs. 16–20), and their combination in Ch. 21. Functional concepts give a firm foundation for those methods, for example, they give the conditions for approximations to obey conservation laws. Additional background and specific aspects are in App. H. Many physical quantities can be expressed as functionals , i.e., they depend on an entire function.1 For example, in the quantum variational method to determine a wavefunction, the total energy of a system of many electrons is a functional of a many-body trial wavefunction ( r 1 , r 2 , …): it is the expectation value of the hamiltonian. At the variational minimum, assuming the trial wavefunction is completely flexible, one finds the many-body Schrödinger equation for the ground state. Many of the properties we are interested in are, formally, simple functionals of the ground- or excited-state wavefunctions. In the search for feasible ways to calculate properties such as excitation spectra, we are led to different types of functional. The idea is to deal only with a physical, measurable quantity Q of interest and a variational functional E [ Q ] of this quantity. The variational character of E allows one to derive equations that determine Q 0 , the value of Q for the system in a desired state, typically the ground state or equilibrium state at T ≠ 0. Other properties should be different functionals F m [ Q ] that can then be evaluated at Q = Q 0 . This strategy is outlined in Fig. 8.1. To appreciate the power of such approaches, one can consider the impact of density functional theory, which is formulated as a functional of the density n ( r ) of electrons; it is defined for a range of densities and the variational minimum for the energy functional E [ n ] leads to equations to determine the actual ground-state density n 0 ( r ) and total energy E 0 .
We explore the notion of spatial extent and structure, already alluded to in earlier literature, within the formulation of quantum mechanics on the noncommutative plane. Introducing the notion of position and its measurement in the sense of a weak measurement (positive operator-valued measure), we find two equivalent pictures in a position representation: a constrained local description in position containing additional degrees of freedom and an unconstrained nonlocal description in terms of the position without any other degrees of freedom. Both these descriptions have a corresponding classical theory which shows that the concept of extended, structured objects emerges quite naturally and unavoidably there. It is explicitly demonstrated that the conserved energy and angular momentum contain corrections to those of a point particle. We argue that these notions also extend naturally to the quantum level. The local description is found to be the most convenient as it manifestly displays additional information about the structure of quantum states that is more subtly encoded in the nonlocal, unconstrained description. Subsequently, we use this picture to discuss the free particle and harmonic oscillator as examples.